SCHEMBL4031383

SCHEMBL4031383

Cc1cn(C)cc1OC(=O)Nc1ccccc1-c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.48
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FAAH O00519 1/20 0.36

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
SCHEMBL4023977 0.86 CHRM3 (0.50) CHRM3RAB9ANPC1LMNAKDM4E
SCHEMBL4027611 0.85 CHRM3 (0.47) CHRM3RAB9ANPC1NPSR1MEN1
SCHEMBL4033730 0.85 CHRM3 (0.52) CHRM3
SCHEMBL4025589 0.85 CHRM3 (0.46) CHRM3RAB9ANPC1NPSR1KMT2A
SCHEMBL4031785 0.85 CHRM3 (0.48) CHRM3RAB9ANPC1NPSR1LMNA
SCHEMBL4033789 0.84 CHRM3 (0.53) CHRM3
SCHEMBL4027799 0.83 CHRM3 (0.52) CHRM3
SCHEMBL4027201 0.81 CHRM3 (0.49) CHRM3RAB9ANPC1NPSR1MEN1
SCHEMBL3024592 0.78 CHRM3 (0.44) CHRM3RAB9ANPC1NPSR1LMNA
SCHEMBL4026463 0.78 CHRM3 (0.52) CHRM3MEN1KMT2AALDH1A1TDP1

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