SCHEMBL9541504

SCHEMBL9541504

CCOC(=O)c1cc(SC#N)c(F)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 1/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PHGDH O43175 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9541164 0.84 KDM4E (0.43) KDM4EHSD17B10ALDH1A1GAAL3MBTL1
SCHEMBL9542719 0.84 KDM4E (0.43) KDM4EHSD17B10ALDH1A1GAAL3MBTL1
SCHEMBL9543995 0.76 ALDH1A1 (0.56) KDM4EHSD17B10ALDH1A1GAAL3MBTL1
SCHEMBL12685916 0.75 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1GAAMAPK1
SCHEMBL7471868 0.74 ALDH1A1 (0.63) KDM4EHSD17B10ALDH1A1GAAL3MBTL1
SCHEMBL27558827 0.74 ALDH1A1 (0.35) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL9539978 0.74 KDM4E (0.49) KDM4EHSD17B10ALDH1A1GAAL3MBTL1
SCHEMBL1966248 0.74 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1GAAL3MBTL1
SCHEMBL17241781 0.73 KDM4E (0.53) KDM4EHSD17B10ALDH1A1GAAMAPK1
SCHEMBL4681611 0.73 LMNA (0.50) HSD17B10ALDH1A1MAPK1MAPTALOX15

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