SCHEMBL7736799

SCHEMBL7736799

COCCOc1cccc(-c2[nH]c3ccc(Cl)cc3c2C2=NCCN2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.45
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
PTGS2 P35354 4/20 0.38
CHRM4 P08173 2/20 0.38
DRD2 P14416 2/20 0.38
HTR7 P34969 2/20 0.38
EIF2AK2 P19525 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL6824155 0.89 PTGS2 (0.40) NISCHPTGS2EIF2AK2MGAMGAA
Hydrochloric Acid SCHEMBL7736343 0.89 LMNA (0.41) NISCHPTGS2EIF2AK2MGAMGAA
Hydrochloric Acid SCHEMBL7736802 0.87 NISCH (0.58) NISCHMAPK13MAPK12MAPK11MAPK14
SCHEMBL7736797 0.84 NISCH (0.46) NISCHMAPK13MAPK12MAPK11MAPK14
SCHEMBL6826340 0.82 PTGS2 (0.50) NISCHMAPK13MAPK12MAPK11MAPK14
SCHEMBL6824734 0.82 MAP2 (0.40) NISCHMAPK14PTGS2EIF2AK2
SCHEMBL6824069 0.82 NISCH (0.58) NISCHMAPK13MAPK12MAPK11MAPK14
SCHEMBL6824458 0.81 NISCH (0.56) NISCHPTGS2MAOAMAOB
Hydrochloric Acid SCHEMBL7735661 0.80 NISCH (0.55) NISCHPTGS2MAOAMAOB
SCHEMBL6820932 0.79 PTGS2 (0.52) NISCHPTGS2PDE10A

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
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US disclosed