SCHEMBL7955076

SCHEMBL7955076

CCC[S+](C)c1c([O-])c2cccnc2n(Cc2cc(OC)c(OC)c(OC)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SYK P43405 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTAFR P25105 1/20 0.36
LMNA P02545 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
SCHEMBL5871627 0.90 MAPT (0.40) LIPGL3MBTL1MAPTTHRBKMT2A
SCHEMBL5871823 0.85 MAPT (0.42) L3MBTL1MAPTTHRBKMT2AALDH1A1
SCHEMBL5871987 0.84 MAPT (0.48) L3MBTL1MAPTTHRBRXFP1ALDH1A1
SCHEMBL7954712 0.84 PDE4A (0.48) L3MBTL1MAPTTHRBKMT2ARXFP1
SCHEMBL7955057 0.79 PDE4A (0.51) MAPTTHRBKMT2ARXFP1
SCHEMBL5872271 0.78 MAPT (0.41) L3MBTL1MAPTTHRBKMT2AALDH1A1
SCHEMBL7954380 0.77 RXFP1 (0.52) MAPTTHRBKMT2ARXFP1ALDH1A1
SCHEMBL5871382 0.77 LIPG (0.37) LIPGL3MBTL1THRBKMT2ASYK
SCHEMBL5871439 0.77 LIPG (0.43) LIPGL3MBTL1MAPTTHRBKMT2A
SCHEMBL9709087 0.74 KMT2A (0.50) LIPGL3MBTL1MAPTTHRBKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US claimed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP claimed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed