SCHEMBL19781844

SCHEMBL19781844

Cc1nc2c(N)sc(N)c2s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
NOS1 P29475 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL19781832 0.69 NOS1 (0.42) MAPK1HSD17B10KDM4ENOS1LMNA
SCHEMBL14699733 0.69 HSD17B10 (0.41) TLR8TLR7MAPK1HSD17B10KDM4E
SCHEMBL5501897 0.68 TLR8 (0.47) TLR8TLR7MAPK1HSD17B10KDM4E
SCHEMBL77254 0.67 HSD17B10 (0.39) TLR8TLR7MAPK1HSD17B10KDM4E
SCHEMBL19267555 0.67 HSD17B10 (0.39) TLR8TLR7MAPK1HSD17B10KDM4E
SCHEMBL19229127 0.65 MAPK1 (0.35) TLR8TLR7MAPK1HSD17B10KDM4E
SCHEMBL17339833 0.65 HSD17B10 (0.38) TLR8TLR7MAPK1HSD17B10KDM4E
SCHEMBL11563145 0.64 TLR8 (0.33) TLR8TLR7
SCHEMBL2616828 0.64
SCHEMBL19626330 0.63 HSD17B10 (0.37) TLR8TLR7MAPK1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018013389-A1 BLUE-EXCITABLE WATER-SOLVATED POLYMERIC DYES BECTON, DICKINSON AND COMPANY (US) 2018-01-18 WO disclosed