SCHEMBL8512773

SCHEMBL8512773

Cc1c(O)nc(NC[C@H]2COCCN2Cc2ccccc2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 8/20 0.36
HPGD P15428 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
AADAT Q8N5Z0 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
SCHEMBL7015961 0.92 TPSAB1 (0.40) SCN9AALDH1A1HPGDKMT2AMEN1
SCHEMBL7021986 0.79 TPSAB1 (0.44) RAB9ANPC1
SCHEMBL7019224 0.78 TPSAB1 (0.42) ALDH1A1HPGDKMT2AMEN1TSHR
SCHEMBL7027219 0.74 TPSAB1 (0.41) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL7023793 0.74 F2 (0.42) KMT2AMEN1NPSR1
SCHEMBL7015960 0.74 TPSAB1 (0.41) ALDH1A1HPGDKMT2AHSD17B10
SCHEMBL7027708 0.73 TPSAB1 (0.43) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL7020326 0.73 TPSAB1 (0.43) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL7018545 0.73 TPSAB1 (0.43) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL7020466 0.73 TPSAB1 (0.43) ALDH1A1HPGDKMT2AMEN1L3MBTL1

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-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed