SCHEMBL8924655

SCHEMBL8924655

O=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1cc2[nH]ncc2cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.39
MKNK2 Q9HBH9 7/20 0.39
TRPA1 O75762 5/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
METAP2 P50579 1/20 0.35
HSP90AA1 P07900 3/20 0.34
HSP90B1 P14625 3/20 0.34
TRAP1 Q12931 3/20 0.34
MAT2A P31153 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL10696215 0.73 HSP90AA1 (0.43) ALDH1A1KDM4EHSP90AA1HSP90B1TRAP1
SCHEMBL27445825 0.68 TRPA1 (0.52) TRPA1KDM4EMETAP2MAPK1
SCHEMBL8525560 0.68 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1CYP2C9CYP2C19
SCHEMBL8820735 0.67 ALDH1A1 (0.43) ALDH1A1KDM4EHSP90AA1HSP90B1TRAP1
SCHEMBL8551841 0.66 ALDH1A1 (0.33) ALDH1A1KDM4ECYP2C9CYP2C19SMN1; SMN2
SCHEMBL24337912 0.66 CHEK1 (0.44) MKNK1TRPA1ALDH1A1KDM4EMETAP2
SCHEMBL9237639 0.65 MAOB (0.44)
SCHEMBL4782024 0.65 TRAP1 (0.38) ALDH1A1KDM4EHSP90AA1HSP90B1TRAP1
SCHEMBL17240320 0.65 TRAP1 (0.36) ALDH1A1KDM4EHSP90AA1HSP90B1TRAP1
SCHEMBL6802264 0.64 BCAT2 (0.42) ALDH1A1KDM4EHSP90AA1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997012884-A1 HERBICIDAL 6-HETEROCYCLIC INDAZOLE DERIVATIVES FMC CORPORATION (US) 1997-04-10 WO disclosed