SCHEMBL7847726

SCHEMBL7847726

COc1ccc(-c2cc(-c3cccc(C#N)n3)nc(-c3cccc(C#N)n3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
ABL1 P00519 1/20 0.45
ABCB1 P08183 1/20 0.45
BCR P11274 1/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NQO1 P15559 1/20 0.44
CYP11B1 P15538 1/20 0.44

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
SCHEMBL8600128 0.97 KDM4E (0.51) KDM4EMAPTGAAABL1ABCB1
SCHEMBL7770256 0.91 SQOR (0.49) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL2961972 0.86 KDM4E (0.58) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL14007665 0.84 CTSS (0.51) KDM4EMAPTGAAHPGDLMNA
SCHEMBL12598663 0.82 CTSS (0.46) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL2767895 0.79 CTSS (0.43) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL7850867 0.79 ABL1 (0.47) KDM4EMAPTABL1ABCB1BCR
SCHEMBL18462193 0.77 CTSS (0.57) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL1771966 0.77 CTSS (0.53) KDM4ELMNAMAPK1TDP1L3MBTL1
SCHEMBL8755201 0.76 MCL1 (0.44) MAPTALDH1A1LMNAKMT2AMEN1

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-0639083-B1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 2001-07-18 EP disclosed
US-5760191-A Macrocyclic complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods NYCOMED IMAGING AS (NO) 1998-06-02 US 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
US-5539117-A 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines GE HEALTHCARE AS (NO) 1996-07-23 US disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
US-5350696-A 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines STERLING WINTHROP, INC. (US) 1994-09-27 US disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed