SCHEMBL6973539

SCHEMBL6973539

CC(=S)Nc1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 3/20 0.57
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
TYR P14679 1/20 0.38
TSHR P16473 1/20 0.38
PHGDH O43175 1/20 0.36
CYP3A4 P08684 1/20 0.35
GAA P10253 5/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
EPHX1 P07099 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
NAPRT Q6XQN6 1/20 0.33

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
SCHEMBL6960682 0.81 MAPT (0.53) TAS2R38HSD17B10ALDH1A1CYP3A4GAA
SCHEMBL50031 0.80 HSD17B10 (0.57) HSD17B10ALDH1A1TSHRCYP3A4GAA
SCHEMBL6965156 0.77 MAPT (0.48) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL3911427 0.74 TDP1 (0.54) HSD17B10ALDH1A1GAAKDM4EHPGD
SCHEMBL6990986 0.74 NPC1 (0.44) HSD17B10ALDH1A1TP53TSHRCYP3A4
SCHEMBL6966858 0.74 TAS2R38 (0.60) TAS2R38HSD17B10ALDH1A1TP53TYR
SCHEMBL2531539 0.73 EPHX2 (0.41) HSD17B10TP53TSHRGAAMAPT
SCHEMBL340780 0.73 TAS2R38 (1.00) TAS2R38HSD17B10ALDH1A1TP53TYR
SCHEMBL359677 0.73 SMN1; SMN2 (0.48) ALDH1A1CYP3A4GAAMAPTKDM4E
SCHEMBL746119 0.73 ALDH1A1 (0.47) HSD17B10ALDH1A1TP53TSHRMAPT

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed