SCHEMBL9256368

SCHEMBL9256368

N#Cc1cccc(C2CCCc3cncn32)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 14/20 0.73
CYP19A1 P11511 11/20 0.73
CYP11B1 P15538 6/20 0.73
KCNH2 Q12809 2/20 0.73
CYP17A1 P05093 1/20 0.57
HRH1 P35367 1/20 0.57

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
SCHEMBL27971316 0.92 CYP19A1 (0.71) CYP11B2CYP19A1CYP11B1KCNH2CYP17A1
SCHEMBL9261654 0.92 CYP19A1 (0.71) CYP11B2CYP19A1CYP11B1KCNH2CYP17A1
Dexfadrostat SCHEMBL685516 0.84 CYP19A1 (1.00) CYP11B2CYP19A1CYP11B1KCNH2
Fadrozole SCHEMBL3295820 0.84 CYP19A1 (1.00) CYP11B2CYP19A1CYP11B1KCNH2
Fadrozole SCHEMBL25491 0.84 CYP19A1 (1.00) CYP11B2CYP19A1CYP11B1KCNH2
S-Fadrozole SCHEMBL13449014 0.84 CYP19A1 (1.00) CYP11B2CYP19A1CYP11B1KCNH2
Fadrozole SCHEMBL4143 0.83 CYP19A1 (1.00) CYP11B2CYP19A1CYP11B1KCNH2
Dexfadrostat SCHEMBL4619633 0.83 CYP19A1 (1.00) CYP11B2CYP19A1CYP11B1KCNH2
Fadrozole SCHEMBL9739941 0.83 CYP19A1 (1.00) CYP11B2CYP19A1CYP11B1KCNH2
Fadrozole SCHEMBL122801 0.83 CYP19A1 (1.00) CYP11B2CYP19A1CYP11B1KCNH2

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 5 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
EP-0165904-A2 Substituted bicycle compounds CIBA-GEIGY AG (CH) 1985-12-27 EP disclosed