SCHEMBL4033425

SCHEMBL4033425

Cc1cn(C)cc1C(=S)Nc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CHRM3 P20309 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPY1R P25929 2/20 0.39
NPY2R P49146 2/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SUCNR1 Q9BXA5 3/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL4029121 0.88 QPCT (0.41) CHRM3SMN1; SMN2LMNASLC6A4SLC6A3
SCHEMBL4030948 0.84 CHRM3 (0.40) TDP1CHRM3SMN1; SMN2NPY1RNPY2R
SCHEMBL4028060 0.83 TDP1 (0.39) TDP1CHRM3SMN1; SMN2NPY1RNPY2R
SCHEMBL4029697 0.82 CHRM3 (0.43) TDP1CHRM3SMN1; SMN2NPY1RNPY2R
SCHEMBL4027201 0.75 CHRM3 (0.49) TDP1CHRM3SMN1; SMN2NPY1RNPY2R
SCHEMBL4027388 0.73 CHRM3 (0.41) CHRM3SMN1; SMN2LMNAL3MBTL1SLC6A4
SCHEMBL13848814 0.72 NTRK1 (0.53) TDP1CHRM3LMNAL3MBTL1SLC6A4
SCHEMBL4027784 0.72 CHRM3 (0.39) CHRM3SMN1; SMN2LMNAL3MBTL1SLC6A4
SCHEMBL4026785 0.71 CHRM3 (0.44) CHRM3SMN1; SMN2LMNASLC6A4SLC6A3
SCHEMBL9311622 0.70 TDP1 (0.49) TDP1CHRM3SMN1; SMN2NPY1RNPY2R

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