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SCHEMBL2649928

SCHEMBL2649928

Cc1ccc(N(C(=O)Nc2ncc(CCc3nnn[nH]3)s2)N(C(=O)Nc2ncc(CCc3nnnn3C)s2)c2ccc(C)cc2C(=O)C2CCCC2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.35
▸ MAPK13 O15264 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ OGA O60502 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL2649931 0.87 MAPK14 (0.40) MAPK14MAPK13
SCHEMBL1342307 0.80 MAPK14 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1343509 0.79 MAPK14 (0.45) MAPK14MAPK13
SCHEMBL2652027 0.71 OGA (0.44) SMN1; SMN2OGA
SCHEMBL6694773 0.71 MAPK14 (0.39) MAPK14MAPK13
SCHEMBL2651283 0.70 KDM4E (0.37) SMN1; SMN2OGA
SCHEMBL2651247 0.70 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AGAA
SCHEMBL4475244 0.69 MAPK14 (0.42) MAPK14MAPK13
SCHEMBL4477098 0.68 MAPK14 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL2651360 0.68 SMN1; SMN2 (0.35) MAPK14SMN1; SMN2

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 — — EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 — — WO disclosed