SCHEMBL9769730

SCHEMBL9769730

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
MAOA P21397 3/20 0.43
GAA P10253 4/20 0.37
CSNK2A1 P68400 2/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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 0.85 NPC1 (0.36) NPC1MAOAGAACSNK2A1
SCHEMBL7279124 0.81 GAA (0.44) NPC1MAOAGAA
SCHEMBL3277991 0.80 NPC1 (0.61) NPC1MAOAGAACSNK2A1MEN1
SCHEMBL7529711 0.75 SRC (0.33)
SCHEMBL30902518 0.74 NPC1 (0.53) NPC1MAOAGAACSNK2A1
SCHEMBL9735484 0.72 NPC1 (0.52) NPC1MAOAGAACSNK2A1TDP1
SCHEMBL8743533 0.71 ADRA2A (0.44) MEN1KMT2ATDP1
SCHEMBL1531114 0.69
Toluene SCHEMBL28554507 0.69 NPC1 (0.47) NPC1GAACSNK2A1MEN1KMT2A
SCHEMBL9769676 0.69 NPC1 (0.36) NPC1GAACSNK2A1

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