SCHEMBL7513740

SCHEMBL7513740

Nc1cc(C(=O)O)cc([S])c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.39
KDM4E B2RXH2 7/20 0.37
GAA P10253 5/20 0.37
HSD17B10 Q99714 4/20 0.37
GFER P55789 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KEAP1 Q14145 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
TPMT P51580 3/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 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
SCHEMBL2810884 0.85 HCAR1 (0.46) HCAR1KDM4EGAAHSD17B10GFER
SCHEMBL10315998 0.78 KDM4E (0.52) HCAR1KDM4EGAAHSD17B10GFER
SCHEMBL2892410 0.78 KEAP1 (0.47) HCAR1KDM4EGAAHSD17B10GFER
SCHEMBL13284093 0.76 HCAR1 (0.39) HCAR1KDM4EGAAHSD17B10GFER
SCHEMBL6086090 0.76 KDM4E (0.46) HCAR1KDM4EGAAHSD17B10GFER
SCHEMBL23526674 0.73 KDM4E (0.40) HCAR1KDM4EGAAHSD17B10GFER
SCHEMBL29945788 0.73 KDM4E (0.40) HCAR1KDM4EGAAHSD17B10GFER
SCHEMBL2218644 0.72 CA12 (0.56) KMT2ACA12CA1CA2CA7
SCHEMBL10281394 0.72 CDC25B (0.47) HCAR1KDM4EGAAHSD17B10GFER
SCHEMBL1000015 0.71 CA12 (0.48) KDM4EGAAHSD17B10GFERMEN1

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
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed