SCHEMBL28811703

SCHEMBL28811703

O=CC(Cn1ccnc1)c1ccc(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.49
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP19A1 P11511 3/20 0.43
PTGS2 P35354 1/20 0.40
HMOX1 P09601 1/20 0.40
ADRA2C P18825 1/20 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
SCHEMBL27956540 0.84 CYP19A1 (0.56) IDO1CYP11B1CYP11B2CYP19A1HMOX1
SCHEMBL27956579 0.81 CYP19A1 (0.53) IDO1CYP11B1CYP11B2CYP19A1ADRA2C
SCHEMBL29669989 0.80 CYP19A1 (0.62) IDO1CYP19A1HMOX1ADRA2C
SCHEMBL28548797 0.80 CYP19A1 (0.62) IDO1CYP19A1HMOX1ADRA2C
SCHEMBL27709549 0.80 CYP19A1 (0.52) IDO1CYP11B1CYP11B2CYP19A1
SCHEMBL28811701 0.80 IDO1 (0.47) IDO1CYP11B1CYP11B2CYP19A1PTGS2
SCHEMBL27956564 0.78 HMOX1 (0.59) IDO1CYP11B1CYP11B2CYP19A1HMOX1
SCHEMBL30928337 0.78 CYP19A1 (0.55) CYP11B1CYP11B2CYP19A1
SCHEMBL27956569 0.76 CYP19A1 (0.47) CYP11B1CYP11B2CYP19A1HMOX1
SCHEMBL27775796 0.76 CYP11B1 (0.43) IDO1CYP11B1CYP11B2CYP19A1

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
CN-103724271-A Substituted imidazole-1-ethylene compound and application thereof LUWAN BRANCH RUI JIN HOSPITAL SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE 2014-04-16 CN disclosed