SCHEMBL28149889

SCHEMBL28149889

CN(C)CCc1cccc(S(=O)(=O)c2ccc(Cn3ccnc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.49
CYP11B2 P19099 8/20 0.49
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
CYP19A1 P11511 2/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TBXAS1 P24557 1/20 0.46
QPCT Q16769 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
QPCTL Q9NXS2 1/20 0.46
ADRA2C P18825 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
SCHEMBL28149888 0.90 CYP19A1 (0.51) CYP11B1CYP11B2HTR1AHTR2CCYP19A1
SCHEMBL28148728 0.89 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL28148752 0.80 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1
SCHEMBL19742865 0.80 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL21500662 0.79 NAMPT (0.49) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL22399266 0.76 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL164101 0.76 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL28148737 0.75 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL159804 0.75 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL173715 0.75 NAMPT (0.54) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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