SCHEMBL2863879

SCHEMBL2863879

Cc1ccc(-n2cc(OC(=O)O)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.49
MAPK12 P53778 10/20 0.49
MAPK11 Q15759 10/20 0.49
MAPK14 Q16539 10/20 0.49
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.39
AVPR2 P30518 2/20 0.37
OXTR P30559 2/20 0.37
AVPR1A P37288 2/20 0.37
DDT P30046 1/20 0.35
KMT2A Q03164 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
SCHEMBL2861379 0.93 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2854567 0.88 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2859964 0.86 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2858895 0.86 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2852365 0.85 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2850785 0.85 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2850877 0.84 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2857950 0.84 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2856640 0.84 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2856833 0.83 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14NPC1

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
EP-1828148-B1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-01-20 EP claimed