SCHEMBL11239699

SCHEMBL11239699

O=C(Cc1ccc(Cl)cc1)Cn1ccnc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.61
CYP2A6 P11509 1/20 0.61
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
CYP2B6 P20813 1/20 0.61
TBXAS1 P24557 1/20 0.50

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
Hydrochloric Acid SCHEMBL11265743 0.98 CYP19A1 (0.59) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL11251579 0.85 CYP2A6 (0.58) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL406793 0.85 TBXAS1 (0.59) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL11248355 0.85 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL6948775 0.85 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11238973 0.84 HMOX2 (0.64) CYP19A1CYP11B1CYP11B2TBXAS1
Hydrochloric Acid SCHEMBL408821 0.84 TBXAS1 (0.60) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL11242327 0.84 LMNA (0.54) CYP19A1TBXAS1
SCHEMBL11228695 0.83 CYP1A2 (0.55) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL8803483 0.83 TBXAS1 (0.60) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351948-A Imidazole hydrazone derivatives G.D. SEARLE & CO. (US) 1982-09-28 US disclosed
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed