SCHEMBL9256029

SCHEMBL9256029

CCOC(=O)c1ccc(-c2cccc(C#N)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.48
PARP1 P09874 1/20 0.46
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 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
SCHEMBL8031197 0.80 CA12 (0.49) PARP1RARARARBRARGCA12
SCHEMBL5222285 0.78 CA12 (0.48) PARP1RARARARBRARGCA12
SCHEMBL2962800 0.77 CYP1A2 (0.70) CA12CA1CA2CA7CA9
SCHEMBL9259002 0.77 CYP1A2 (0.49) PARP1RARARARBRARGCA12
SCHEMBL22939960 0.76 CYP1A2 (0.59) HPGDKDM4EALDH1A1MAPTCYP1A2
SCHEMBL5217933 0.76 HPGD (0.56) CA12CA1CA2ESR1CA7
SCHEMBL24595883 0.75 NPC1 (0.54) PARP1RARARARBRARGCA12
SCHEMBL24345242 0.75 CTSS (0.51) CTSSHPGDKDM4EALDH1A1HSD17B10
SCHEMBL5556244 0.75 CA12 (0.66) RARARARBRARGCA12CA1
SCHEMBL2997892 0.74 CA12 (0.56) CA12CA1CA2ESR1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428160-A Condensation of imidazole derivative with cyano- or halo-substituted benzene derivative containing leaving group esterified with carboxylic or sulfonic acid CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
EP-0165904-B1 SUBSTITUTED BICYCLE COMPOUNDS CIBA-GEIGY AG (CH) 1991-04-10 EP disclosed
US-4889861-A Substituted imidazo[1,5-a]pyridine derivatives and other substituted bicyclic derivatives and their use as aromatase inhibitors CIBA-GEIGY CORP. (US) 1989-12-26 US disclosed
EP-0114573-B1 IMIDAZO(1,5-A)PYRIDINE DERIVATIVES CIBA-GEIGY AG (CH) 1988-04-20 EP disclosed
US-4728645-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1988-03-01 US disclosed
US-4617307-A Substituted imidazo[1,5-A]pyridine derivatives as aromatase inhibitors CIBA-GEIGY CORPORATION (US) 1986-10-14 US disclosed
US-4588732-A Certain imidazo(1,5-a)pyridine derivatives and their use as thromboxane synthetase inhibitors CIBA-GEIGY CORPORATION (US) 1986-05-13 US disclosed
EP-0165904-A2 Substituted bicycle compounds CIBA-GEIGY AG (CH) 1985-12-27 EP disclosed