SCHEMBL4836876

SCHEMBL4836876

Cn1cc(OC(=O)Nc2ccccc2-c2cc(F)ccc2Cl)c(C(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1128008 0.91 MEN1 (0.44) CHRM3MEN1KMT2A
SCHEMBL3800595 0.90 CHRM3 (0.40) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL3041879 0.90 CHRM3 (0.42) CHRM3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3805880 0.89 CHRM3 (0.48) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL5141750 0.88 CHRM3 (0.40) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL1019979 0.86 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL5622869 0.86 CHRM3 (0.43) CHRM3MEN1KMT2A
SCHEMBL5179370 0.86 CHRM3 (0.48) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL3041527 0.86 CHRM3 (0.47) CHRM3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4564306 0.85 CHRM3 (0.38) CHRM3MEN1KMT2AKDM4EALDH1A1

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-1898704-A1 FUNGICIDAL MIXTURES BASED ON 2,5-DISUBSTITUTED PYRAZOL CARBOXYLIC ACID BIPHENYLAMIDES BASF SE (DE) 2008-03-19 EP claimed
WO-2007003540-A1 FUNGICIDAL MIXTURES BASED ON 2,5-DISUBSTITUTED PYRAZOL CARBOXYLIC ACID BIPHENYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO claimed