SCHEMBL4030244

SCHEMBL4030244

Cn1cc(CF)c(OC(=O)Nc2ccccc2-c2ccccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 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
SCHEMBL4031785 0.88 CHRM3 (0.48) CHRM3
SCHEMBL4026961 0.87 CHRM3 (0.48) CHRM3MEN1KMT2AALDH1A1KDM4E
SCHEMBL4024550 0.86 CHRM3 (0.52) CHRM3MEN1KMT2ACHRM2CHRM1
SCHEMBL4028248 0.84 CHRM3 (0.52) CHRM3CHRM1
SCHEMBL4027611 0.84 CHRM3 (0.47) CHRM3MEN1KMT2AALDH1A1KDM4E
SCHEMBL4025143 0.83 CHRM3 (0.50) CHRM3ALDH1A1KDM4E
SCHEMBL4024951 0.82 CHRM3 (0.44) CHRM3MEN1KMT2AALDH1A1KDM4E
SCHEMBL4024233 0.81 CHRM3 (0.52) CHRM3
SCHEMBL4026096 0.81 CHRM3 (0.52) CHRM3
SCHEMBL4023857 0.80 CHRM3 (0.51) CHRM3MEN1KMT2AALDH1A1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed