SCHEMBL9712412

SCHEMBL9712412

Cc1cc(C)c(F)c(C=O)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.36
CYP3A4 P08684 4/20 0.35
MAPT P10636 2/20 0.35
ERN1 O75460 6/20 0.34
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
PRKDC P78527 1/20 0.31
USP2 O75604 2/20 0.31
ALB P02768 1/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
KDM4E B2RXH2 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LDHA P00338 1/20 0.30

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
SCHEMBL4746715 0.88 ERN1 (0.35) SOS1CYP3A4MAPTERN1ALDH1A1
SCHEMBL27298656 0.84 PRKDC (0.38) SOS1CYP3A4MAPTERN1TSHR
SCHEMBL25637321 0.84 ERN1 (0.33) CYP3A4MAPTERN1PRKDC
SCHEMBL30973040 0.84 PRKDC (0.38) SOS1CYP3A4MAPTERN1TSHR
SCHEMBL25637320 0.81
SCHEMBL493981 0.79 SRC (0.45) SOS1ALDH1A1TSHRTDP1HPGD
SCHEMBL1349494 0.78 CYP3A4 (0.38) SOS1CYP3A4MAPTERN1CYP2C9
SCHEMBL15339919 0.77 ERN1 (0.37) CYP3A4MAPTERN1ALDH1A1TSHR
SCHEMBL11763496 0.77 CYP3A4 (0.37) CYP3A4MAPTERN1CYP2C9CYP2C19
SCHEMBL753448 0.74 ERN1 (0.37) CYP3A4MAPTERN1ALDH1A1TSHR

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-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed