SCHEMBL9543995

SCHEMBL9543995

CCOC(=O)c1cc(SC#N)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
MAPT P10636 6/20 0.56
POLB P06746 2/20 0.56
HSD17B10 Q99714 4/20 0.51
KDM4E B2RXH2 4/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.41
GAA P10253 4/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL9541352 0.84 ALDH1A1 (0.53) ALDH1A1MAPTPOLBHSD17B10KDM4E
SCHEMBL1027580 0.84 ALDH1A1 (0.58) ALDH1A1MAPTPOLBHSD17B10KDM4E
SCHEMBL11350666 0.81 ALDH1A1 (0.55) ALDH1A1MAPTPOLBHSD17B10KDM4E
SCHEMBL9541366 0.79 ALDH1A1 (0.53) ALDH1A1MAPTPOLBHSD17B10KDM4E
SCHEMBL15639611 0.78 ALDH1A1 (0.55) ALDH1A1MAPTPOLBHSD17B10KDM4E
SCHEMBL13753940 0.78 ALDH1A1 (0.56) ALDH1A1MAPTPOLBHSD17B10KDM4E
SCHEMBL8422402 0.77 ALDH1A1 (0.54) ALDH1A1MAPTPOLBHSD17B10KDM4E
SCHEMBL3299507 0.76 CA1 (0.56) ALDH1A1MAPTGFERTSHRHTT
SCHEMBL9541164 0.76 KDM4E (0.43) ALDH1A1MAPTPOLBHSD17B10KDM4E
SCHEMBL9541504 0.76 KDM4E (0.43) ALDH1A1MAPTPOLBHSD17B10KDM4E

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