SCHEMBL9541533

SCHEMBL9541533

C=CCSOC(=O)c1ccccc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
HSD17B10 Q99714 9/20 0.62
TSHR P16473 3/20 0.62
CFTR P13569 1/20 0.50
HPGD P15428 5/20 0.45
RAB9A P51151 3/20 0.45
CYP3A4 P08684 2/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GLA P06280 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 8/20 0.44
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9740682 0.78 LMNA (0.45) ALDH1A1TSHRHPGDCYP3A4TP53
SCHEMBL6890534 0.77 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCFTRHPGD
SCHEMBL759012 0.77 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRCFTRHPGD
SCHEMBL11451093 0.77 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCFTRHPGD
Hydrochloric Acid SCHEMBL28469611 0.75 ALDH1A1 (0.97) ALDH1A1HSD17B10TSHRCFTRHPGD
SCHEMBL16672346 0.74 ALDH1A1 (0.71) ALDH1A1HSD17B10TSHRCFTRHPGD
SCHEMBL6670097 0.74 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRCFTRHPGD
SCHEMBL21694738 0.71 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRCFTRHPGD
SCHEMBL1501166 0.71 HSD17B10 (0.58) ALDH1A1HSD17B10TSHRCFTRHPGD
SCHEMBL28166720 0.71 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRCFTRHPGD

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-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed