SCHEMBL5087486

SCHEMBL5087486

CCOC(=O)c1c(C)nc(Cl)c2nc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 3/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE4D Q08499 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5088070 0.76 ALDH1A1 (0.52) KDM4EHPGDRAB9AHSD17B10ALDH1A1
SCHEMBL31732891 0.74 MKNK1 (0.36) HPGDRAB9ANPSR1
SCHEMBL11714754 0.73 KDM4E (0.43) KDM4EHPGDGAARAB9AHSD17B10
SCHEMBL5081771 0.71 SMN1; SMN2 (0.41) HPGDALDH1A1SMN1; SMN2HTT
SCHEMBL26608266 0.70 LMNA (0.48) KDM4EHPGDGAARAB9AHSD17B10
SCHEMBL31336260 0.70 LMNA (0.48) KDM4EHPGDGAARAB9AHSD17B10
SCHEMBL11300565 0.70 ALDH1A1 (0.40) RAB9AHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL13815988 0.70 KDM4E (0.64) KDM4EGAAALDH1A1LMNASMN1; SMN2
SCHEMBL24558232 0.69 KDM4E (0.42) KDM4EHPGDGAARAB9AHSD17B10
SCHEMBL3637105 0.69 KDM4E (0.53) KDM4EHPGDGAARAB9AHSD17B10

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-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed