SCHEMBL9259002

SCHEMBL9259002

CCOC(=O)c1ccc(-c2cccc(CN)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
PARP1 P09874 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ESR1 P03372 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ESR2 Q92731 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 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
SCHEMBL9262739 0.81 SMN1; SMN2 (0.46) CYP1A2LMNACYP3A4MAOAPARP1
SCHEMBL8031197 0.81 CA12 (0.49) CYP1A2LMNACYP3A4MAOAPARP1
SCHEMBL9256029 0.77 CTSS (0.48) CYP1A2LMNACYP3A4MAOAPARP1
SCHEMBL14935831 0.77 CYP1A2 (0.72) CYP1A2LMNACYP3A4MAOACA12
SCHEMBL29407960 0.76 IRAK4 (0.48) MAPTRAB9AKDM4EALDH1A1TDP1
SCHEMBL16768775 0.76 IRAK4 (0.48) MAPTRAB9AKDM4EALDH1A1TDP1
SCHEMBL5556244 0.76 CA12 (0.66) CYP1A2LMNACYP3A4MAOACA12
Hydrochloric Acid SCHEMBL31098480 0.76 CYP1A2 (0.70) CYP1A2LMNACA12CA1CA2
Hydrochloric Acid SCHEMBL29289732 0.76 CYP1A2 (0.70) CYP1A2LMNACA12CA1CA2
SCHEMBL17680263 0.75 PDGFRB (0.52) CYP1A2LMNACYP3A4MAOACA12

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 9 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
EP-0114573-A1 Imidazo(1,5-a)pyridine derivatives CIBA-GEIGY AG (CH) 1984-08-01 EP disclosed