SCHEMBL8137674

SCHEMBL8137674

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
RAB9A P51151 1/20 0.39
CHRNA7 P36544 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAPT P10636 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
SCHEMBL8138015 0.86 CYP4F2 (0.41) TP53CYP4F2CYP4A11HTTALDH1A1
SCHEMBL6699195 0.77 CYP4F2 (0.44) CYP4F2CYP4A11HTTALDH1A1KDM4E
SCHEMBL8129422 0.77 NOTUM (0.39) TP53CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL7974768 0.77 ALDH1A1 (0.38) TP53ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL7901370 0.75 CYP4F2 (0.39) TP53CYP4F2CYP4A11HTTALDH1A1
SCHEMBL10531901 0.74 BAZ2B (0.43) TP53CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL10644841 0.73 SMN1; SMN2 (0.54) CYP4F2CYP4A11HTTALDH1A1KDM4E
SCHEMBL9706684 0.73 MAPK1 (0.48) TP53CYP4F2CYP4A11HTTALDH1A1
SCHEMBL10410041 0.73 MEN1 (0.40) TP53HTTALDH1A1MAPK1TSHR
SCHEMBL10411515 0.72 TDP1 (0.48) ALDH1A1KDM4EKMT2APOLBGAA

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