SCHEMBL29643191

SCHEMBL29643191

CCOC(=O)c1ncnc(O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
GLP1R P43220 1/20 0.40
TARBP2 Q15633 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40

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
SCHEMBL13472308 1.00 NPC1 (0.44) NPC1MAPTALDH1A1TP53XBP1
SCHEMBL13472307 0.85 KDM5B (0.48) NPC1MAPTALDH1A1TP53XBP1
SCHEMBL2258738 0.83 CA12 (0.42) NPC1MAPTALDH1A1TP53XBP1
SCHEMBL13472446 0.82 MAPT (0.43) NPC1MAPTALDH1A1TP53XBP1
SCHEMBL22118282 0.82 NPC1 (0.43) NPC1MAPTALDH1A1TP53XBP1
SCHEMBL18703831 0.81 NPC1 (0.43) NPC1MAPTALDH1A1TP53XBP1
SCHEMBL10177616 0.80 GABRA1 (0.42) NPC1MAPTALDH1A1TP53XBP1
SCHEMBL716161 0.80 MAPT (0.41) NPC1MAPTALDH1A1TP53XBP1
SCHEMBL13474037 0.78 HPGD (0.44) NPC1MAPTALDH1A1TP53XBP1
SCHEMBL2743308 0.78 NPC1 (0.46) NPC1MAPTALDH1A1TP53XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255911-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2023-10-11 EP disclosed
WO-2022117783-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2022-06-09 WO disclosed