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SCHEMBL2651698

SCHEMBL2651698

Cc1ccc(N(C(=O)Nc2nc(CSc3ccccc3)c(Sc3ncc[nH]3)s2)N(C(=O)Nc2nc(CSc3ccccc3)c(Sc3ncc[nH]3)s2)c2ccccc2C(=O)C2CCCC2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL2649637 0.88 NPSR1 (0.34) PDE10AKDM4ENPC1ALDH1A1MAPT
SCHEMBL2651700 0.86 PRMT5 (0.34) GCKPDE10AKDM4ENPC1ALDH1A1
SCHEMBL1343263 0.86 NTRK1 (0.34) GCKKDM4ENPC1ALDH1A1POLB
SCHEMBL4819855 0.86 — —
SCHEMBL2649855 0.86 MAPT (0.34) ALDH1A1POLBMAPTKMT2A
SCHEMBL2651281 0.85 RAB9A (0.34) PDE10AKDM4ENPC1ALDH1A1POLB
SCHEMBL1341372 0.82 NTRK1 (0.34) GCKKDM4ENPC1ALDH1A1POLB
SCHEMBL1342541 0.81 NTRK1 (0.33) GCKNPC1ALDH1A1MAPTRAB9A
SCHEMBL1342995 0.79 MAPT (0.34) GCKMAPTKMT2A
SCHEMBL2650217 0.78 GRM4 (0.31) —

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