SCHEMBL7954380

SCHEMBL7954380

CCC[S+](C)c1c([O-])c2cccnc2n(Cc2ccccc2Cl)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.52
MAPT P10636 4/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.47
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7954712 0.88 PDE4A (0.48) RXFP1MAPTPTGDR2TP53THRB
SCHEMBL7955057 0.82 PDE4A (0.51) RXFP1MAPTPTGDR2TP53THRB
SCHEMBL7955076 0.77 LIPG (0.42) RXFP1MAPTTHRBKMT2AALDH1A1
SCHEMBL28969557 0.70 MAPT (0.58) RXFP1MAPTPTGDR2TP53THRB
SCHEMBL5871823 0.70 MAPT (0.42) MAPTPTGDR2THRBMEN1KMT2A
SCHEMBL2087811 0.69 PTGDR2 (0.58) RXFP1MAPTPTGDR2TP53MEN1
SCHEMBL5871987 0.68 MAPT (0.48) RXFP1MAPTPTGDR2TP53THRB
SCHEMBL5871627 0.67 MAPT (0.40) RXFP1MAPTTP53THRBKMT2A
SCHEMBL7956548 0.66 AURKA (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL24914454 0.64 RXFP1 (0.52) RXFP1MAPTPTGDR2TP53

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 2 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 disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed