SCHEMBL7211524

SCHEMBL7211524

Nc1nc(SCCOCCO)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
TLR7 Q9NYK1 9/20 0.42
ADORA3 P0DMS8 2/20 0.42
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABCB1 P08183 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 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
SCHEMBL7209468 0.90 TLR7 (0.48) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7206075 0.90 TLR7 (0.42) MAPK1TLR7ADORA3TSHRKDM4E
SCHEMBL7205381 0.90 TLR7 (0.43) MAPK1TLR7ADORA3TSHRKDM4E
SCHEMBL3874062 0.89 MAPK1 (0.56) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7208552 0.87 TLR7 (0.49) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7205405 0.87 MAPK1 (0.48) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7208584 0.86 MAPK1 (0.47) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7205874 0.86 MAPK1 (0.44) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7210239 0.86 ABCB1 (0.50) MAPK1ADORA3TSHRNPSR1ALDH1A1
SCHEMBL7210231 0.85 MAPK1 (0.49) MAPK1TLR7ADORA3TSHRNPSR1

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