SCHEMBL4024951

SCHEMBL4024951

Cn1cc(OC(=O)Nc2ccccc2-c2ccccc2Cl)c(C(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
LPAR1 Q92633 1/20 0.34

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
SCHEMBL4025589 0.88 CHRM3 (0.46) CHRM3KMT2AKDM4EALDH1A1LPAR1
SCHEMBL4031163 0.87 CHRM3 (0.46) CHRM3MEN1KMT2ACHRM2CHRM1
SCHEMBL4025520 0.84 CHRM3 (0.49) CHRM3MEN1KMT2ACHRM2CHRM1
SCHEMBL4027611 0.84 CHRM3 (0.47) CHRM3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4028003 0.83 CHRM3 (0.48) CHRM3KDM4EALDH1A1CHRM2CHRM1
SCHEMBL5710621 0.83 LMNA (0.40) CHRM3ALDH1A1
SCHEMBL4030244 0.82 CHRM3 (0.46) CHRM3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4027584 0.81 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL3041879 0.81 CHRM3 (0.42) CHRM3MEN1KMT2AKDM4EALDH1A1
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