SCHEMBL8994420

SCHEMBL8994420

[CH2]n1c(Cl)c(Cl)c(C#N)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.44
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSR P00390 1/20 0.33
DHODH Q02127 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10591696 0.82 KIF11 (0.44) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL10589580 0.82 KIF11 (0.44) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL9058461 0.79 ADORA1 (0.43) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL9059293 0.79 KIF11 (0.41) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL8994459 0.77 KDM4E (0.40) ADORA1RXFP1ALDH1A1MAPTKDM4E
SCHEMBL8072565 0.74 KIF11 (0.36) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL9423468 0.73 KIF11 (0.38) KIF11NPC1RAB9AALDH1A1MAPT
SCHEMBL9222722 0.72 ADORA1 (0.35) KIF11ADORA1NPC1RAB9ARXFP1
SCHEMBL9057391 0.72 GRIA2 (0.38) KIF11ADORA1ALDH1A1LMNAHTT
SCHEMBL9389568 0.71 ALDH1A1 (0.36) KIF11ADORA1ALDH1A1LMNAAR

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-0594941-B1 N-substituted carbonyoxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed