SCHEMBL8685696

SCHEMBL8685696

CSc1nccc(Oc2ccc(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
GAA P10253 1/20 0.54
KDR P35968 10/20 0.43
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
KCNH2 Q12809 2/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
RXRA P19793 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
BRAF P15056 2/20 0.36
KMO O15229 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G7 Q13093 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL2028873 0.83 HTT (0.55) HTTGAAKDRFLT1FLT4
SCHEMBL8688694 0.82 KDR (0.45) HTTGAAKDRFLT1FLT4
SCHEMBL2762749 0.80 HTT (0.52) HTTGAAKDRFLT1FLT4
SCHEMBL8668427 0.79 GAA (0.51) HTTGAAKDRFLT1FLT4
SCHEMBL4367250 0.75 HTT (0.56) HTTGAAKDRMEN1KMT2A
SCHEMBL2762603 0.75 HTT (0.47) HTTGAAKDRMEN1KMT2A
SCHEMBL7893706 0.75 HTR2A (0.47) KDRFLT1FLT4KCNH2HTR2A
SCHEMBL6938479 0.74 KDR (0.48) KDRFLT1FLT4KCNH2HTR2A
SCHEMBL2762560 0.74 BRAF (0.66) KDRFLT1FLT4HTR2ABRAF
SCHEMBL2762667 0.73 HTT (0.56) HTTGAAMEN1KMT2AALDH1A1

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
US-5707995-A APPLYING TO SKINS/COATS OF ANIMALS TO CONTROL TICKS, INSECTS, PARASITES AMERICAN CYANAMID COMPANY (US) 1998-01-13 US claimed