SCHEMBL4602252

SCHEMBL4602252

O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)Oc1cn[nH]c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.51
CHRM2 P08172 2/20 0.51
CHRM1 P11229 2/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ROCK1 Q13464 2/20 0.38
MYLK4 Q86YV6 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ROCK2 O75116 3/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL5087704 0.85 CHRM3 (0.47) CHRM3NPC1RAB9ANPSR1KDM4E
SCHEMBL4780539 0.85 CHRM3 (0.45) CHRM3CHRM2CHRM1NPC1RAB9A
SCHEMBL4602463 0.85 NPC1 (0.47) CHRM3CHRM2CHRM1NPC1RAB9A
SCHEMBL1128131 0.83 CHRM3 (0.47) CHRM3NPC1RAB9ANPSR1KDM4E
SCHEMBL1128158 0.83 NPC1 (0.45) CHRM3CHRM2CHRM1NPC1RAB9A
SCHEMBL522034 0.82 CHRM3 (0.48) CHRM3CHRM2CHRM1RAB9AROCK1
SCHEMBL5081617 0.81 CHRM3 (0.47) CHRM3CHRM1KDM4EALDH1A1MEN1
SCHEMBL5084476 0.80 ALDH1A1 (0.50) CHRM3NPC1RAB9ANPSR1ROCK1
SCHEMBL4426887 0.78 NPC1 (0.41) CHRM3NPC1RAB9ANPSR1ROCK1
SCHEMBL4731375 0.78 CCNE2 (0.40) CHRM3CHRM2CHRM1NPC1RAB9A

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
EP-1912503-A2 FUNGICIDAL MIXTURES CONTAINING SUBSTITUTED 1-METHYL PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF SE (DE) 2008-04-23 EP disclosed
WO-2007017416-A2 FUNGICIDAL MIXTURES CONTAINING SUBSTITUTED 1-METHYL PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF SE (DE) 2007-02-15 WO disclosed