SCHEMBL5597190

SCHEMBL5597190

CCOCc1ccc(C2CCCc3cncn32)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.67
CYP11B2 P19099 7/20 0.57
CYP11B1 P15538 3/20 0.57
KCNH2 Q12809 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
SCHEMBL2354674 0.81 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2351732 0.78 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Hydrochloric Acid SCHEMBL9260352 0.78 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1041969 0.77 CYP19A1 (0.76) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1912921 0.76 CYP19A1 (0.74) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2351179 0.76 CYP19A1 (0.73) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2354504 0.74 CYP19A1 (0.70) CYP19A1CYP11B2CYP11B1KCNH2
Dexfadrostat SCHEMBL685516 0.73 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
S-Fadrozole SCHEMBL13449014 0.73 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2350719 0.72 CYP19A1 (0.69) CYP19A1CYP11B2CYP11B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381431-B1 AROMATASE INHIBITION TO ENHANCE IMPLANTATION RATE ARES TRADING SA (CH) 2007-06-06 EP disclosed