SCHEMBL9059293

SCHEMBL9059293

N#CCn1c(Cl)c(Cl)c(C#N)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.41
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
NAAA Q02083 1/20 0.32
GSR P00390 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
RET P07949 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
SCHEMBL9058461 0.86 ADORA1 (0.43) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL9055243 0.84 USP2 (0.38) RXFP1ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL8072565 0.81 KIF11 (0.36) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL8994420 0.79 KIF11 (0.44) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL10589580 0.79 KIF11 (0.44) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL10591696 0.79 KIF11 (0.44) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL9222722 0.78 ADORA1 (0.35) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL9057391 0.78 GRIA2 (0.38) KIF11ADORA1ALDH1A1RETLMNA
SCHEMBL9056032 0.78 AHR (0.36) ADORA1ALDH1A1MAPTMEN1LMNA
SCHEMBL8994389 0.77 ADORA1 (0.34) KIF11ADORA1NPC1RAB9ARXFP1

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
EP-0426948-B1 Arylpyrrole insecticidal acaricidal and nematicidal agents and methods AMERICAN CYANAMID CO (US) 1996-05-08 EP disclosed