SCHEMBL9753405

SCHEMBL9753405

CNC(C)n1c(NS(C)(=O)=O)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
TSHR P16473 3/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 4/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
ALOX15 P16050 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 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
SCHEMBL9697132 0.82 HSD17B10 (0.54) HSD17B10TSHRPOLBALDH1A1KMT2A
SCHEMBL19113190 0.77 RAB9A (0.58) HSD17B10TSHRPOLBALDH1A1KMT2A
SCHEMBL26813752 0.73 HSD17B10 (0.58) HSD17B10TSHRPOLBALDH1A1KMT2A
SCHEMBL9753404 0.71 GAA (0.47) HSD17B10TSHRPOLBALDH1A1KMT2A
SCHEMBL22793063 0.71 HSD17B10 (0.44) HSD17B10TSHRPOLBALDH1A1KMT2A
SCHEMBL24810100 0.71 HSD17B10 (0.68) HSD17B10TSHRPOLBALDH1A1KMT2A
SCHEMBL9697949 0.64 LMNA (0.54) HSD17B10TSHRPOLBALDH1A1KMT2A
SCHEMBL20715329 0.64 HSD17B10 (1.00) HSD17B10TSHRPOLBALDH1A1KMT2A
SCHEMBL2854775 0.63 HSD17B10 (0.57) HSD17B10TSHRPOLBALDH1A1KMT2A
SCHEMBL1980314 0.63 HSD17B10 (0.57) HSD17B10TSHRPOLBALDH1A1KMT2A

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-1991018904-A1 SUBSTITUTED ARYLSULFONAMIDES AND BENZAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-12 WO disclosed