SCHEMBL4028060

SCHEMBL4028060

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPY1R P25929 2/20 0.38
NPY2R P49146 2/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CHRM3 P20309 5/20 0.37
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SUCNR1 Q9BXA5 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 3/20 0.33
F10 P00742 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4027784 0.90 CHRM3 (0.39) SMN1; SMN2LMNAL3MBTL1CHRM3SLC6A4
SCHEMBL4033425 0.83 TDP1 (0.42) TDP1SMN1; SMN2NPY1RNPY2RLMNA
SCHEMBL4030948 0.83 CHRM3 (0.40) TDP1SMN1; SMN2NPY1RNPY2RLMNA
SCHEMBL4029697 0.79 CHRM3 (0.43) TDP1SMN1; SMN2NPY1RNPY2RLMNA
SCHEMBL4031163 0.77 CHRM3 (0.46) TDP1SMN1; SMN2NPY1RNPY2RLMNA
SCHEMBL4029121 0.74 QPCT (0.41) SMN1; SMN2LMNACHRM3SLC6A4SLC6A3
SCHEMBL4027388 0.72 CHRM3 (0.41) SMN1; SMN2LMNAL3MBTL1CHRM3SLC6A4
SCHEMBL4026785 0.70 CHRM3 (0.44) SMN1; SMN2LMNACHRM3SLC6A4SLC6A3
SCHEMBL21423850 0.70 CHRM3 (0.46) LMNANPSR1L3MBTL1CHRM3CHRM2
SCHEMBL29419144 0.69 TDP1 (0.53) TDP1SMN1; SMN2NPY1RNPY2RLMNA

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