SCHEMBL9540082

SCHEMBL9540082

CCOC(=O)c1cc(SC)c(Br)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 6/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 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
SCHEMBL15713806 0.84 ALDH1A1 (0.54) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL9541164 0.83 KDM4E (0.43) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL9541154 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL15714032 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL7471868 0.79 ALDH1A1 (0.63) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL15358179 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL18214690 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL21072735 0.78 KDM4E (0.53) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL1567668 0.76 HSD17B10 (0.51) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL24792080 0.75 KDM4E (0.53) ALDH1A1HSD17B10GAAMAPK1KDM4E

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