SCHEMBL4780539

SCHEMBL4780539

O=C(Nc1ccccc1-c1cc(Cl)cc(Cl)c1)Oc1cn[nH]c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CHRM1 P11229 3/20 0.39
CHRM2 P08172 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
MAPK1 P28482 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
SCHEMBL5081617 0.91 CHRM3 (0.47) CHRM3MEN1KMT2AKDM4ECHRM1
SCHEMBL4602252 0.85 CHRM3 (0.51) CHRM3MEN1KMT2AKDM4ECHRM1
SCHEMBL1127912 0.84 MEN1 (0.48) CHRM3MEN1KMT2AKDM4ENPC1
SCHEMBL5087704 0.81 CHRM3 (0.47) CHRM3MEN1KMT2AKDM4ENPC1
SCHEMBL4731375 0.79 CCNE2 (0.40) CHRM3MEN1KMT2ACHRM1CHRM2
SCHEMBL1128158 0.79 NPC1 (0.45) CHRM3MEN1KMT2AKDM4ECHRM1
SCHEMBL5085060 0.79 CHRM3 (0.49) CHRM3MEN1KMT2ACHRM1CHRM2
SCHEMBL5084476 0.79 ALDH1A1 (0.50) CHRM3NPC1RAB9ANPSR1
SCHEMBL4602463 0.79 NPC1 (0.47) CHRM3MEN1KMT2AKDM4ECHRM1
SCHEMBL4426887 0.77 NPC1 (0.41) CHRM3MEN1KMT2AKDM4ENPC1

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-1903867-A1 FUNGICIDE MIXTURES BASED ON 3,5-DISUBSTITUTED PYRAZOL-CARBOXYLIC ACID BIPHENYLAMIDES BASF SE (DE) 2008-04-02 EP claimed
WO-2007003564-A1 FUNGICIDE MIXTURES BASED ON 3,5-DISUBSTITUTED PYRAZOL-CARBOXYLIC ACID BIPHENYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO claimed