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SCHEMBL7856476

SCHEMBL7856476

CCNC(=O)c1ccc(NCCNc2ncc(C(=O)OCC)c(-c3ccc(C#N)cc3)n2)nc1.CCOC(=O)c1cnc(NCCNc2ccc([N+](=O)[O-])c(NCc3ccccc3)n2)nc1-c1ccc(C#N)cc1.N#Cc1ccc(-c2nc(NCCNc3ccc(C(=O)N4CCOCC4)cn3)ncc2C(=O)O)cc1.N#Cc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2[N+](=O)[O-])cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ SRC P12931 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SIRT5 Q9NXA8 3/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ BDKRB1 P46663 1/20 0.31
▸ FASN P49327 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL5091675 0.81 NPSR1 (0.47) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5099004 0.79 EGLN1 (0.43) ALDH1A1KDM4ESRCMEN1KMT2A
SCHEMBL7020535 0.77 SIRT5 (0.46) MAPK8ALDH1A1KDM4ESRCSIRT5
SCHEMBL5093866 0.75 DPP4 (0.45) MAPK8ALDH1A1KDM4ERAB9A
SCHEMBL5091761 0.75 EGLN1 (0.43) ALDH1A1KDM4EL3MBTL1RAB9ANPSR1
SCHEMBL5091748 0.75 MAPK8 (0.47) MAPK8ALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL5093156 0.74 ALDH1A1 (0.39) MAPK8ALDH1A1KDM4EL3MBTL1SIRT5
SCHEMBL7674236 0.73 DPP4 (0.40) MAPK8ALDH1A1
SCHEMBL5094058 0.72 POLB (0.43) MAPK8ALDH1A1MEN1KMT2ARAB9A
SCHEMBL5100736 0.72 DPP4 (0.39) MAPK8ALDH1A1

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-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 — — EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 — — WO disclosed