SCHEMBL4027388

SCHEMBL4027388

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
QPCT Q16769 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTRK1 P04629 1/20 0.38
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
MET P08581 1/20 0.33
AXL P30530 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
SCHEMBL4030948 0.89 CHRM3 (0.40) CHRM3LMNAALDH1A1SMN1; SMN2SLC6A4
SCHEMBL4029121 0.85 QPCT (0.41) CHRM3LMNAALDH1A1QPCTSMN1; SMN2
SCHEMBL4027784 0.82 CHRM3 (0.39) CHRM3LMNAALDH1A1QPCTSMN1; SMN2
SCHEMBL4026785 0.81 CHRM3 (0.44) CHRM3LMNAALDH1A1QPCTSMN1; SMN2
SCHEMBL4025143 0.80 CHRM3 (0.50) CHRM3LMNAALDH1A1KDM4E
SCHEMBL4033425 0.73 TDP1 (0.42) CHRM3LMNAALDH1A1SMN1; SMN2SLC6A4
SCHEMBL13848814 0.73 NTRK1 (0.53) CHRM3LMNAALDH1A1NTRK1SLC6A4
SCHEMBL4028060 0.72 TDP1 (0.39) CHRM3LMNAALDH1A1SMN1; SMN2SLC6A4
SCHEMBL4026961 0.70 CHRM3 (0.48) CHRM3ALDH1A1KDM4E
SCHEMBL4029697 0.69 CHRM3 (0.43) CHRM3LMNAALDH1A1SMN1; SMN2SLC6A4

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