SCHEMBL9540066

SCHEMBL9540066

CCOC(=S)c1cc(CC)c(Br)cc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL9540053 0.84 ALDH1A1 (0.33) HSD17B10ALDH1A1GAAMAPK1MAPT
SCHEMBL12311137 0.72 ALDH1A1 (0.52) HSD17B10ALDH1A1GAAMAPK1MAPT
SCHEMBL4626925 0.71 TSHR (0.50) HSD17B10ALDH1A1GAAMAPK1MAPT
SCHEMBL10545243 0.71 POLB (0.38) HSD17B10ALDH1A1GAAMAPK1MAPT
SCHEMBL11387602 0.71 ALDH1A1 (0.45) HSD17B10ALDH1A1GAAMAPK1MAPT
SCHEMBL9540060 0.71 TSHR (0.33) HSD17B10L3MBTL1SMN1; SMN2TSHRPOLB
SCHEMBL9543957 0.71 ALDH1A1 (0.33) HSD17B10ALDH1A1GAAMAPK1
SCHEMBL9541212 0.71 ALDH1A1 (0.33) HSD17B10ALDH1A1GAAMAPK1MAPT
SCHEMBL15713806 0.70 ALDH1A1 (0.54) HSD17B10ALDH1A1GAAMAPK1MAPT
SCHEMBL470885 0.68 HSD17B1 (0.38) HSD17B10ALDH1A1GAAMAPTCYP1A2

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 4 patents. 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
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 US disclosed