SCHEMBL8924647

SCHEMBL8924647

Cc1c(C(F)(F)F)[nH]c(=O)n(-c2cc3[nH]ncc3cc2F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.36
TRPM8 Q7Z2W7 3/20 0.36
TRPV1 Q8NER1 2/20 0.36
METAP2 P50579 1/20 0.35
MAT2A P31153 1/20 0.34
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KB1 P23443 1/20 0.33
ROCK1 Q13464 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
P2RX7 Q99572 2/20 0.32
BCAT1 P54687 1/20 0.32
PIK3CA P42336 1/20 0.31

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
SCHEMBL22467858 0.74 BCAT1 (0.42) USP2TSHRBCAT1
SCHEMBL7888968 0.72 RXFP1 (0.40) TSHRBCAT1
SCHEMBL22495466 0.72 HTT (0.40) BCAT1
SCHEMBL8897764 0.71 TRPA1 (0.37) TRPA1TRPM8TRPV1METAP2MAPK1
SCHEMBL8344732 0.69 BCAT1 (0.30) BCAT1
SCHEMBL8624306 0.68 BCAT1 (0.31) BCAT1
SCHEMBL7162422 0.67 BCAT1 (0.33) BCAT1
SCHEMBL8551834 0.67 HSD17B1 (0.31) BCAT1
SCHEMBL9387652 0.66 PPOX (0.45) BCAT1
SCHEMBL4782020 0.66 USP2 (0.36) USP2TSHR

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