SCHEMBL7210562

SCHEMBL7210562

COc1ccc(CSc2nc(N)c3nc(O)n(Cc4ccccc4)c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 4/20 0.45
HPGD P15428 4/20 0.45
GLA P06280 3/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TLR7 Q9NYK1 4/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL7208339 0.90 ADORA3 (0.48) ALDH1A1TLR7NPC1RAB9AMAPK1
SCHEMBL7205773 0.90 TLR7 (0.48) CTSBALDH1A1TLR7KMT2ATP53
SCHEMBL10309752 0.89 RAB9A (0.45) ALDH1A1HPGDTLR7TP53NPC1
SCHEMBL7210357 0.87 DRD2 (0.46) CTSBALDH1A1KMT2ANPC1RAB9A
SCHEMBL2060463 0.86 DRD2 (0.48) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2060411 0.86 TP53 (0.53) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2060547 0.84 DRD2 (0.46) HPGDTLR7KMT2ATP53ADORA3
SCHEMBL2060370 0.84 ADORA3 (0.43) ALDH1A1TP53NPC1RAB9AMAPK1
SCHEMBL7205100 0.84 TLR7 (0.46) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL7209553 0.82 TSHR (0.44) ALDH1A1KDM4EGAAHPGDCASP1

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