SCHEMBL19781832

SCHEMBL19781832

Cc1nc2c(N)sc(N)c2nc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.42
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HSD17B10 Q99714 2/20 0.31
IDO1 P14902 1/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL3874742 0.69 MAPT (0.38) MAPTALDH1A1LMNAKDM4E
SCHEMBL13820156 0.69 NOS1 (0.39) NOS1MAPT
SCHEMBL19781844 0.69 TLR8 (0.42) NOS1MAPTLMNAKDM4EHSD17B10
SCHEMBL7724511 0.67
SCHEMBL5155088 0.65
SCHEMBL2616828 0.65
SCHEMBL812478 0.63 NQO2 (0.35) MAPTALDH1A1LMNAKDM4E
SCHEMBL34472783 0.63 LMNA (0.58) NOS1MAPTALDH1A1LMNAKDM4E
SCHEMBL11836648 0.63 LMNA (0.58) NOS1MAPTALDH1A1LMNAKDM4E
SCHEMBL24421891 0.63 LMNA (0.44) MAPTALDH1A1LMNAKDM4EIDO1

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