SCHEMBL5337696

SCHEMBL5337696

OCc1ccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 4/20 0.37
AKT1 P31749 5/20 0.37
AKT2 P31751 4/20 0.37
GRIA1 P42261 2/20 0.37
CACNG2 Q9Y698 1/20 0.37
PTGS2 P35354 2/20 0.36
CNR1 P21554 2/20 0.35
NR1I3 Q14994 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5349454 0.79 CNR1 (0.41) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5349461 0.78 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5322344 0.78 AKT1 (0.55) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5318363 0.74 AKT1 (0.62) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5348895 0.74 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5263183 0.71 AKT1 (0.49) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL2577266 0.69 GAA (0.66) KDM4EGAAALDH1A1GLARAB9A
SCHEMBL19835441 0.68 NOTUM (0.45) KDM4EGAANOTUMPTGS2CNR1
SCHEMBL5263026 0.68 AKT1 (0.43) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5344739 0.68 PTGS2 (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2PTGS2

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-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed