SCHEMBL9258097

SCHEMBL9258097

N#Cc1ccc(Cn2cncc2CCC=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.68
CYP11B2 P19099 12/20 0.68
CYP19A1 P11511 1/20 0.58
FNTA P49354 5/20 0.51
FNTB P49356 5/20 0.51
PGGT1B P53609 4/20 0.51

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
SCHEMBL7499526 0.88 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL6776413 0.83 CYP11B1 (0.85) CYP11B1CYP11B2CYP19A1
SCHEMBL7475351 0.83 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7802267 0.82 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7473109 0.82 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL3828919 0.82 CYP11B1 (0.78) CYP11B1CYP11B2CYP19A1
SCHEMBL7083825 0.81 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL3822518 0.81 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL8191731 0.81 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7713277 0.80 CYP11B1 (0.46) CYP11B1CYP11B2

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 6 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
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
EP-0165904-A2 Substituted bicycle compounds CIBA-GEIGY AG (CH) 1985-12-27 EP disclosed