SCHEMBL28051724

SCHEMBL28051724

CC(=S)NC(=O)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
EPHX1 P07099 3/20 0.61
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
EPHX2 P34913 1/20 0.61
CDK9 P50750 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
KMT2A Q03164 3/20 0.60
TAAR1 Q96RJ0 3/20 0.60
MEN1 O00255 2/20 0.58
HSD17B10 Q99714 2/20 0.57
NAPRT Q6XQN6 1/20 0.57
ALDH1A1 P00352 5/20 0.56
GAA P10253 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 1/20 0.56
CASP3 P42574 1/20 0.53

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
SCHEMBL2887905 0.83 NPC1 (0.70) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL10401175 0.83 SMN1; SMN2 (0.80) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL10566568 0.79 SMN1; SMN2 (0.55) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL8428905 0.79 SMN1; SMN2 (0.73) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL21511125 0.78 SMN1; SMN2 (0.59) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL340780 0.78 TAS2R38 (1.00) TAS2R38SMN1; SMN2EPHX1TP53TSHR
Diphenylurea SCHEMBL133103 0.78 SMN1; SMN2 (1.00) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL20938570 0.78 SMN1; SMN2 (0.64) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL23069083 0.77 RAB9A (0.86) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL5144195 0.77 KDM4E (0.58) SMN1; SMN2EPHX1TP53TSHREPHX2

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
CN-105330984-A TPV composition and automobile hand brake grip coating material ANHUI XIONGYA PLASTIC TECHNOLOGY CO LTD 2016-02-17 CN claimed
CN-105330984-A TPV composition and automobile hand brake grip coating material ANHUI XIONGYA PLASTIC TECHNOLOGY CO LTD 2016-02-17 CN disclosed