SCHEMBL4774740

SCHEMBL4774740

CNC(=O)c1cccc(OC)c1SC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.50
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSD P07339 1/20 0.46
MTNR1A P48039 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
HPGD P15428 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
STAT3 P40763 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B1 P14061 1/20 0.43
HPGDS O60760 1/20 0.43
GAA P10253 1/20 0.42
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL3263369 0.81 HTT (0.54) TSHRHSD17B10MAPTSMN1; SMN2HPGD
SCHEMBL353828 0.79 CTSD (0.70) PLK1TSHRHSD17B10MAPTSMN1; SMN2
SCHEMBL17544377 0.78 TAS1R3 (0.61) PLK1HSD17B10MAPTCTSDMTNR1A
SCHEMBL1534502 0.78 RAB9A (0.61) PLK1MAPTSMN1; SMN2HPGDTP53
SCHEMBL5954008 0.78 PLK1 (0.54) PLK1HSD17B10CTSD
Hydrochloric Acid SCHEMBL7476155 0.78 CTSD (0.68) PLK1TSHRHSD17B10MAPTSMN1; SMN2
SCHEMBL31650667 0.77 KAT6A (0.58) PLK1HSD17B10SMN1; SMN2CTSDMTNR1A
SCHEMBL2063675 0.77 CTSD (0.53) PLK1HSD17B10MAPTSMN1; SMN2CTSD
SCHEMBL10521510 0.75 PLK1 (0.51) PLK1HSD17B10SMN1; SMN2CTSDMTNR1A
Alcohol SCHEMBL6834845 0.75 CTSD (0.69) PLK1TSHRHSD17B10MAPTSMN1; 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
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed