SCHEMBL9115306

SCHEMBL9115306

Cc1oncc1C(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
GMNN O75496 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
THRB P10828 1/20 0.55
PIM1 P11309 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAOA P21397 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
AGTR1 P30556 1/20 0.55
CCKBR P32239 1/20 0.55
MC4R P32245 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL8684154 0.86 RAB9A (0.55) SMN1; SMN2HTTNPC1RAB9AGMNN
SCHEMBL8494741 0.85 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPC1RAB9AGMNN
SCHEMBL9114687 0.83 CES2 (0.47) SMN1; SMN2HTTNPC1RAB9AGMNN
SCHEMBL8492565 0.82 NPC1 (0.51) SMN1; SMN2HTTNPC1RAB9AGMNN
SCHEMBL28188798 0.81 GAA (0.57) SMN1; SMN2HTTCYP2C19KDM4ERXFP1
SCHEMBL9114519 0.80 DHODH (0.64) SMN1; SMN2HTTNPC1RAB9AGMNN
SCHEMBL27969576 0.75 LMNA (0.50) SMN1; SMN2HTTNPC1RAB9AGMNN
SCHEMBL8491182 0.75 RAB9A (0.45) SMN1; SMN2HTTNPC1RAB9AGMNN
SCHEMBL1671398 0.74 NTRK1 (0.49) SMN1; SMN2HTTCYP2C19KDM4ERXFP1
SCHEMBL8489376 0.73 LMNA (0.49) SMN1; SMN2HTTNPC1RAB9AGMNN

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-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed