SCHEMBL8138015

SCHEMBL8138015

CCOC(=O)c1cc(-n2c(S(C)(=O)=O)nc(C(F)(F)F)cc2=O)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CHRNA7 P36544 4/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.39
PTGS2 P35354 4/20 0.39
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
GLP1R P43220 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL8137674 0.86 TP53 (0.43) CYP4F2CYP4A11MAPTALDH1A1CHRNA7
SCHEMBL8130389 0.77 PTGS2 (0.47) ALDH1A1PTGS2PTGS1
SCHEMBL6699195 0.76 CYP4F2 (0.44) CYP4F2CYP4A11MAPTALDH1A1MAPK1
SCHEMBL7974768 0.75 ALDH1A1 (0.38) MAPTALDH1A1TP53NPSR1HSD17B10
SCHEMBL8129422 0.75 NOTUM (0.39) CYP4F2CYP4A11MAPTALDH1A1MAPK1
SCHEMBL7901370 0.73 CYP4F2 (0.39) CYP4F2CYP4A11MAPTALDH1A1MAPK1
SCHEMBL10531901 0.73 BAZ2B (0.43) CYP4F2CYP4A11MAPTALDH1A1TP53
SCHEMBL10644841 0.71 SMN1; SMN2 (0.54) CYP4F2CYP4A11MAPTALDH1A1MAPK1
SCHEMBL9706684 0.71 MAPK1 (0.48) CYP4F2CYP4A11MAPTALDH1A1MAPK1
SCHEMBL10410041 0.71 MEN1 (0.40) MAPTALDH1A1MAPK1TP53HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6165942-A Heterocycle-fused pyrimidinone derivative and herbicidal composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-0970958-A1 HETEROCYCLE-FUSED PYRIMIDINONE DERIVATIVES AND HERBICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-01-12 EP disclosed