SCHEMBL8548149

SCHEMBL8548149

CCOC(=O)CN(CC(=O)OCC)N(C)c1cccc(-c2cc(-c3ccc(OC)cc3)cc(-c3cccc(N(C)N(CC(=O)OCC)CC(=O)OCC)n3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 6/20 0.40
HPGD P15428 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
PPARG P37231 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.38
MCL1 Q07820 2/20 0.38
TP53 P04637 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL8548153 0.82 ALDH1A1 (0.43) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL8935762 0.81 KMT2A (0.43) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL8934909 0.79 METAP1 (0.41) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL7770369 0.78 PPARG (0.41) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL12403999 0.77 MCL1 (0.46) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL7770589 0.76 PPARG (0.41) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL8544432 0.74 ABL1 (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL8626275 0.72 MCL1 (0.39) MAPTHPGDALDH1A1KDM4EMCL1
SCHEMBL8765283 0.70 MCL1 (0.45) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL8755383 0.69 ALDH1A1 (0.40) KMT2AMEN1MAPTHPGDALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624097-B1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
US-5367080-A PYRIDINE DERIVATIVES STERLING WINTHROP INC. (US) 1994-11-22 US disclosed
EP-0624097-A1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1994-11-17 EP disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed
WO-1992008494-A2 TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1992-05-29 WO disclosed