SCHEMBL4030948

SCHEMBL4030948

Cn1cc(CF)c(C(=S)Nc2ccccc2-c2ccc(Cl)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.40
TDP1 Q9NUW8 1/20 0.40
SUCNR1 Q9BXA5 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 3/20 0.37
NPY1R P25929 2/20 0.37
NPY2R P49146 2/20 0.37
LMNA P02545 1/20 0.37
PLA2G1B P04054 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.34
F10 P00742 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4027388 0.89 CHRM3 (0.41) CHRM3SMN1; SMN2LMNAL3MBTL1SLC6A4
SCHEMBL4033425 0.84 TDP1 (0.42) CHRM3TDP1SUCNR1SMN1; SMN2NPSR1
SCHEMBL4028060 0.83 TDP1 (0.39) CHRM3TDP1SUCNR1SMN1; SMN2NPSR1
SCHEMBL4026961 0.80 CHRM3 (0.48) CHRM3TDP1NPSR1CHRM2CHRM1
SCHEMBL4029697 0.80 CHRM3 (0.43) CHRM3TDP1SMN1; SMN2NPSR1NPY1R
SCHEMBL4029121 0.75 QPCT (0.41) CHRM3SMN1; SMN2LMNASLC6A4SLC6A3
SCHEMBL4027784 0.72 CHRM3 (0.39) CHRM3SMN1; SMN2LMNAL3MBTL1CHRM2
SCHEMBL4026785 0.70 CHRM3 (0.44) CHRM3SMN1; SMN2LMNASLC6A4SLC6A3
SCHEMBL4025143 0.70 CHRM3 (0.50) CHRM3LMNAALDH1A1KDM4E
SCHEMBL4024550 0.69 CHRM3 (0.52) CHRM3CHRM2CHRM1

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