SCHEMBL4029697

SCHEMBL4029697

Cn1cc(C(=S)Nc2ccccc2-c2ccc(Cl)cc2)c(C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.43
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.35
THRB P10828 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL4026785 0.89 CHRM3 (0.44) CHRM3SMN1; SMN2LMNASLC6A4SLC6A3
SCHEMBL4033425 0.82 TDP1 (0.42) CHRM3CHRM2CHRM1TDP1SMN1; SMN2
SCHEMBL4030948 0.80 CHRM3 (0.40) CHRM3CHRM2CHRM1TDP1SMN1; SMN2
SCHEMBL4028060 0.79 TDP1 (0.39) CHRM3CHRM2CHRM1TDP1SMN1; SMN2
SCHEMBL4028195 0.78 CHRM3 (0.53) CHRM3CHRM2CHRM1
SCHEMBL4029121 0.71 QPCT (0.41) CHRM3SMN1; SMN2LMNASLC6A4SLC6A3
SCHEMBL4027388 0.69 CHRM3 (0.41) CHRM3SMN1; SMN2LMNAL3MBTL1SLC6A4
SCHEMBL4027784 0.68 CHRM3 (0.39) CHRM3CHRM2CHRM1SMN1; SMN2LMNA
SCHEMBL4031110 0.68 CHRM3 (0.56) CHRM3CHRM2CHRM1
SCHEMBL4030601 0.68 CHRM3 (0.56) 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