SCHEMBL28148752

SCHEMBL28148752

CN(C)Cc1ccc(S(=O)(=O)c2ccc(Cn3ccnc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.54
CYP11B2 P19099 6/20 0.54
CYP19A1 P11511 5/20 0.54
CYP2A6 P11509 1/20 0.51
CYP2B6 P20813 1/20 0.51

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
SCHEMBL28148728 0.89 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1
SCHEMBL28149888 0.87 CYP19A1 (0.51) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL19742865 0.83 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL21500640 0.81 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL28149889 0.80 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1
SCHEMBL28140205 0.80 CYP11B1 (0.63) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL28148749 0.79 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL28377018 0.78 CYP19A1 (0.61) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL28148737 0.78 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL28148755 0.78 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed