SCHEMBL9769674

SCHEMBL9769674

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.36
NPC1 O15118 1/20 0.33
PPOX P50336 1/20 0.32
CSNK2A1 P68400 2/20 0.31
GAA P10253 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
SCHEMBL8599131 0.82 SLC2A1 (0.39) NPC1PPOXCSNK2A1GAA
SCHEMBL7689433 0.81 NPC1 (0.36) MAOANPC1PPOXCSNK2A1GAA
SCHEMBL9734857 0.81 EGFR (0.36) NPC1PPOXCSNK2A1GAA
SCHEMBL4678114 0.78 PPOX (0.45) NPC1PPOXCSNK2A1GAA
SCHEMBL8879333 0.75 NPC1 (0.43) NPC1PPOXCSNK2A1GAA
SCHEMBL9769676 0.75 NPC1 (0.36) NPC1PPOXCSNK2A1GAA
SCHEMBL4592760 0.74 PGK1 (0.43) MAOANPC1
SCHEMBL10953015 0.74 PGK1 (0.31) MAOA
SCHEMBL7279006 0.73 GAA (0.42) MAOAGAA
SCHEMBL10811265 0.73 NPC1 (0.38) NPC1PPOXGAA

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