SCHEMBL11234779

SCHEMBL11234779

COc1ccc(CC2(Cn3ccnc3)OCC(C)(C)CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
HMOX1 P09601 2/20 0.44
CYP11B1 P15538 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
TBXAS1 P24557 1/20 0.43

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
SCHEMBL11247245 0.89 HMOX1 (0.55) CYP19A1HMOX1CYP11B1MEN1KMT2A
SCHEMBL11244076 0.89 MEN1 (0.47) CYP19A1CYP11B1MEN1KMT2AATM
SCHEMBL11238194 0.89 HMOX1 (0.58) HMOX1
SCHEMBL11253775 0.89 CYP19A1 (0.44) CYP19A1HMOX1CYP11B1MEN1KMT2A
SCHEMBL11247711 0.88 TBXAS1 (0.42) HMOX1TBXAS1
SCHEMBL11244599 0.87 HMOX1 (0.50) CYP19A1HMOX1CYP11B1MEN1KMT2A
SCHEMBL11238076 0.87 CYP19A1 (0.50) CYP19A1HMOX1CYP11B1
SCHEMBL11239283 0.87 HMOX1 (0.51) HMOX1MEN1KMT2A
SCHEMBL11243771 0.87 IDO1 (0.43) CYP19A1HMOX1CYP11B1
SCHEMBL11246554 0.87 MEN1 (0.51) CYP19A1CYP11B1MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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