SCHEMBL11244504

SCHEMBL11244504

CCCC1(CCC)COC(CCn2ccnc2)(Cc2ccc(Br)cc2)OC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.49
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPK1 P28482 1/20 0.40
NOS1 P29475 2/20 0.39

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
SCHEMBL11235149 0.92 HMOX1 (0.50) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11229193 0.90 CYP19A1 (0.45) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11239102 0.89 HMOX1 (0.47) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11235305 0.89 CYP19A1 (0.42) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11239745 0.88 HMOX1 (0.52) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11244237 0.87 KMT2A (0.43) HMOX1
SCHEMBL11249904 0.87 MEN1 (0.45) CYP19A1CYP11B1MAPK1
SCHEMBL11231921 0.85 KDM4E (0.48) CYP19A1NOS1
SCHEMBL11243731 0.85 HMOX1 (0.66) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11241360 0.83 CYP11B1 (0.45) HMOX1CYP19A1CYP11B1CYP11B2

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