SCHEMBL7745408

SCHEMBL7745408

COc1cccc(Oc2c[c]c(F)cc2C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.49
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
PGR P06401 1/20 0.44
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7744905 0.87 POLB (0.53) ARFNTAFNTBPGGT1BPGR
SCHEMBL7745251 0.84 AR (0.40) ARFNTAFNTBPGGT1BALDH1A1
SCHEMBL5843345 0.79 ALDH1A1 (0.44) ARPGRKDM4EALDH1A1
SCHEMBL7740084 0.79 MAPT (0.42) POLBL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL22867963 0.78 AR (0.66) ARFNTAFNTBPGGT1BPGR
SCHEMBL7745375 0.78 PPARA (0.43) ARGAAPOLBL3MBTL1KDM4E
SCHEMBL7747655 0.76 AR (0.40) ARGAAPOLBSMN1; SMN2
SCHEMBL8561327 0.75 POLB (0.73) ARFNTAFNTBPGGT1BPGR
SCHEMBL22169493 0.71 RAB9A (0.47) ARFNTAFNTBPGGT1BGAA
SCHEMBL7744812 0.71 GSTP1 (0.38) ARGAAPOLB

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-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed