SCHEMBL7205405

SCHEMBL7205405

Nc1nc(SCCCO)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
TLR7 Q9NYK1 3/20 0.45
ADORA3 P0DMS8 2/20 0.43
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL7208584 0.97 MAPK1 (0.47) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL3874062 0.93 MAPK1 (0.56) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7205545 0.90 TLR7 (0.47) TLR7
SCHEMBL7210239 0.90 ABCB1 (0.50) MAPK1ADORA3TSHRNPSR1ABCB1
SCHEMBL7210231 0.89 MAPK1 (0.49) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7204088 0.89 TLR7 (0.47) TLR7ADORA3
SCHEMBL7206458 0.88 MAPK1 (0.45) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7210304 0.88 MAPK1 (0.41) MAPK1TLR7ADORA3TSHRNPSR1
SCHEMBL7209554 0.88 L3MBTL1 (0.42) MAPK1ADORA3TSHR
SCHEMBL7205874 0.87 MAPK1 (0.44) 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