SCHEMBL7211567

SCHEMBL7211567

CSCCSc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HSD17B10 Q99714 2/20 0.40
TLR7 Q9NYK1 4/20 0.39
ABCB1 P08183 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7205474 0.90 TSHR (0.45) TSHRNPSR1MAPK1ADORA3ALDH1A1
SCHEMBL7211816 0.90 TLR7 (0.44) TSHRNPSR1MAPK1ADORA3ALDH1A1
SCHEMBL7210239 0.90 ABCB1 (0.50) TSHRNPSR1MAPK1ADORA3ALDH1A1
SCHEMBL7206458 0.88 MAPK1 (0.45) TSHRNPSR1MAPK1ADORA3ALDH1A1
SCHEMBL3874062 0.88 MAPK1 (0.56) TSHRNPSR1MAPK1ADORA3ALDH1A1
SCHEMBL7209948 0.88 TSHR (0.52) TSHRNPSR1MAPK1ALDH1A1HPGD
SCHEMBL7205545 0.88 TLR7 (0.47) TLR7
SCHEMBL7205874 0.87 MAPK1 (0.44) TSHRNPSR1MAPK1ADORA3ALDH1A1
SCHEMBL7209553 0.87 TSHR (0.44) TSHRNPSR1MAPK1ALDH1A1HPGD
SCHEMBL7210231 0.87 MAPK1 (0.49) TSHRNPSR1MAPK1ADORA3ALDH1A1

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