SCHEMBL9769676

SCHEMBL9769676

CC(C#N)Oc1cc(N)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
MET P08581 1/20 0.35
PPOX P50336 1/20 0.33
GAA P10253 1/20 0.33
CSNK2A1 P68400 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
NOS2 P35228 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
SCHEMBL7689433 0.84 NPC1 (0.36) NPC1METPPOXGAACSNK2A1
SCHEMBL4678114 0.82 PPOX (0.45) NPC1PPOXGAACSNK2A1
SCHEMBL8879333 0.79 NPC1 (0.43) NPC1METPPOXGAACSNK2A1
SCHEMBL10545794 0.77
SCHEMBL10811265 0.76 NPC1 (0.38) NPC1PPOXGAA
SCHEMBL8599131 0.76 SLC2A1 (0.39) NPC1PPOXGAACSNK2A1
SCHEMBL9734857 0.75 EGFR (0.36) NPC1PPOXGAACSNK2A1
SCHEMBL8599124 0.75 NPC1 (0.36) NPC1PPOXGAACSNK2A1
SCHEMBL9769674 0.75 MAOA (0.36) NPC1PPOXGAACSNK2A1
SCHEMBL29278731 0.74 ALDH1A1 (0.47) PPOXGAACYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068365-A Herbicides TOSOH CORPORATION (JP) 1991-11-26 US disclosed
EP-0326764-A2 Hexahydrophthalic anilide derivatives and herbicide compositions containing the same Tosoh Corporation (JP) 1989-08-09 EP disclosed