SCHEMBL7956809

SCHEMBL7956809

CS(=O)(=O)NCc1ccccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.53
MC4R P32245 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
CYP2C9 P11712 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7958300 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1CA12CA9
SCHEMBL7956458 0.81 POLB (0.51) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL7958986 0.81 HTR7 (0.51) KMT2AMEN1ALDH1A1CYP2C19HTR1A
SCHEMBL7956813 0.80 GAA (0.50) KMT2AMEN1CYP2C19CYP1A2CYP2D6
SCHEMBL7956239 0.79 CYP19A1 (0.46) KMT2AMEN1SMN1; SMN2
SCHEMBL5564069 0.79 SETDB1 (0.55) SETDB1MC4RCYP2C19HTR1AHTR1D
Hydrochloric Acid SCHEMBL8336633 0.77 SETDB1 (0.53) SETDB1MC4RALDH1A1CYP2C19HTR1A
SCHEMBL7947475 0.75 KMT2A (0.52) KMT2AALDH1A1HTR1ASMN1; SMN2
SCHEMBL5341195 0.73 MC4R (0.51) SETDB1MC4RKMT2AMEN1CYP2C19
SCHEMBL7958994 0.72 GFER (0.50) KMT2AALDH1A1SMN1; SMN2

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
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed