SCHEMBL7209560

SCHEMBL7209560

Nc1nc(SCC=O)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PNP P00491 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
TLR7 Q9NYK1 4/20 0.37
DHFR P00374 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 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
SCHEMBL7208361 0.89 MAPK1 (0.42) MAPK1TSHRNPSR1ADORA2AADORA1
SCHEMBL7208339 0.86 ADORA3 (0.48) MAPK1TSHRNPSR1ADORA2AADORA1
SCHEMBL7206750 0.85 CXCL12 (0.45) MAPK1TSHRNPSR1ADORA2AADORA1
SCHEMBL7211816 0.85 TLR7 (0.44) MAPK1TSHRNPSR1ADORA3TLR7
SCHEMBL7205474 0.85 TSHR (0.45) MAPK1TSHRNPSR1ADORA2AADORA1
SCHEMBL7210239 0.85 ABCB1 (0.50) MAPK1TSHRNPSR1ADORA2AADORA1
SCHEMBL7209553 0.85 TSHR (0.44) MAPK1TSHRNPSR1ADORA2AADORA1
SCHEMBL7206028 0.84 HSD17B10 (0.47) MAPK1TSHRL3MBTL1LMNAALDH1A1
SCHEMBL3874062 0.84 MAPK1 (0.56) MAPK1TSHRNPSR1ADORA2AADORA1
SCHEMBL7206458 0.84 MAPK1 (0.45) MAPK1TSHRNPSR1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035123-B1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMA (JP) 2003-08-20 EP disclosed
US-6329381-B1 INTERFERONS, VIRICIDES AND ANTICARCINOGENIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1035123-A1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP disclosed