SCHEMBL8832463

SCHEMBL8832463

CCOC(=O)c1cc2cnn(C)c2nc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE4B Q07343 1/20 0.42
GAA P10253 1/20 0.42
CSNK1D P48730 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26992591 0.86 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL31721248 0.75 CYP1A2 (0.53) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL15878812 0.75 ALDH1A1 (0.55) NPC1RAB9AMAPTTSHRMEN1
SCHEMBL30577603 0.75 MAPT (0.52) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL21818776 0.74 ALDH1A1 (0.46) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL30577688 0.74 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8832211 0.74 CA12 (0.42) MAPTTSHRKMT2AALDH1A1CYP1A2
SCHEMBL8573566 0.73 RAB9A (0.50) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL8832744 0.73 ADORA2A (0.55) NPC1TSHRMEN1KMT2AALDH1A1
SCHEMBL8832481 0.72 ALDH1A1 (0.54) NPC1RAB9AMAPTSMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703916-A1 14-SUBSTITUTED MARCFORTINES AND DERIVATIVES USEFUL AS ANTIPARASITIC AGENTS PHARMACIA & UPJOHN COMPANY (US) 1996-04-03 EP claimed
WO-1994029319-A1 14-SUBSTITUTED MARCFORTINES AND DERIVATIVES USEFUL AS ANTIPARASITIC AGENTS THE UPJOHN COMPANY (US) 1994-12-22 WO claimed
US-5622913-A CONTROLLING PLANT GROWTH AMERICAN CYANAMID COMPANY (US) 1997-04-22 US disclosed
US-5599772-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5599773-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5571773-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-11-05 US disclosed
US-5565412-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-10-15 US disclosed
US-5565411-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-10-15 US disclosed
US-5563113-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-10-08 US disclosed
US-5554579-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-09-10 US disclosed
US-5536702-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-07-16 US disclosed
US-5536839-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed
US-5534483-A (2-imidazolin-2-yl) fused heteropyridine compounds intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534485-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534484-A (2-imidazolin-2-yl)fused heteropyridine compounds intermediates for the preparation of and use of said compounds and herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5532207-A CONTROL OF MONO- AND DI-COTYLEDONOUS ANNUAL, PERENNIAL AND AQUATIC PLANTS; PRE- AND POST-EMERGENCE USE AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed
US-5510319-A PYRROLO-2,3-B-PYRIDINYL DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1996-04-23 US disclosed
US-5252538-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-10-12 US disclosed
EP-0227932-B1 NOVEL FUSED PYRIDINE COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-01-13 EP disclosed
EP-0227932-A1 Novel fused pyridine compounds, intermediates for the preparation of, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-07-08 EP disclosed