SCHEMBL6662281

SCHEMBL6662281

NC(=O)c1cccc(OC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
KCNH2 Q12809 2/20 0.45
OPRM1 P35372 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NNMT P40261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SCN9A Q15858 2/20 0.37
DGAT1 O75907 1/20 0.36
PARP1 P09874 2/20 0.36
F10 P00742 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL377165 0.84 KDM4E (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2304053 0.79 NNMT (0.56) PIM1KCNH2OPRM1KDM4ETDP1
SCHEMBL29447025 0.79 NNMT (0.56) PIM1KCNH2OPRM1KDM4ETDP1
SCHEMBL725893 0.79 OPRM1 (0.62) KCNH2OPRM1SCN9AF10F2
Pyridine Dicarboxamide SCHEMBL29587789 0.77 TSHR (0.59) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL229425 0.77 TSHR (0.59) PIM1KDM4EALOX15TSHRACMSD
SCHEMBL2780205 0.77 ASIC3 (0.39) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL11904090 0.76 PKM (0.48) KCNH2KDM4ETDP1ALDH1A1
SCHEMBL10768300 0.76 MEN1 (0.52) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL29501171 0.75 TSHR (0.56) PIM1KDM4EALOX15TSHRACMSD

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-1125498-B1 Spore germination inhibitor and food using the same AJINOMOTO KK (JP) 2004-08-25 EP claimed