SCHEMBL11235149

SCHEMBL11235149

CCC1(CC)COC(CCn2ccnc2)(Cc2ccc(Br)cc2)OC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.50
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAPK1 P28482 1/20 0.41
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
SCHEMBL11244504 0.92 HMOX1 (0.49) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11249457 0.90 CYP19A1 (0.46) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11252118 0.89 HMOX1 (0.47) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11242485 0.89 CYP19A1 (0.43) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11239745 0.89 HMOX1 (0.52) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11242390 0.87 KMT2A (0.44) HMOX1
SCHEMBL11228678 0.87 MEN1 (0.46) CYP19A1CYP11B1MAPK1
SCHEMBL11243731 0.86 HMOX1 (0.66) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11236581 0.84 KDM4E (0.48) CYP19A1NOS1
SCHEMBL11244588 0.84 HMOX1 (0.60) HMOX1CYP19A1CYP11B1CYP11B2MAPK1

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