SCHEMBL2647415

SCHEMBL2647415

COc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1C=NNC(=O)c1ccc(O)c(C#N)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.79
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
PLA2G1B P04054 1/20 0.43
KMT2A Q03164 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL2647412 1.00 GCGR (0.79) GCGRMAPTALDH1A1KDM4ERAB9A
SCHEMBL2648611 0.90 GCGR (0.78) GCGRMAPTALDH1A1KDM4ERAB9A
SCHEMBL2648607 0.90 GCGR (0.78) GCGRMAPTALDH1A1KDM4ERAB9A
SCHEMBL2656010 0.90 GCGR (0.81) GCGRMAPTALDH1A1KDM4ERAB9A
SCHEMBL2656013 0.90 GCGR (0.81) GCGRMAPTALDH1A1KDM4ERAB9A
SCHEMBL9071655 0.89 GCGR (0.71) GCGRMAPTALDH1A1KDM4ERAB9A
SCHEMBL2646445 0.88 GCGR (1.00) GCGRMAPTALDH1A1KDM4ERAB9A
SCHEMBL2646449 0.88 GCGR (1.00) GCGRMAPTALDH1A1KDM4ERAB9A
SCHEMBL7229343 0.87 GCGR (0.85) GCGRMAPTALDH1A1KDM4ERAB9A
SCHEMBL7229348 0.87 GCGR (0.85) GCGRMAPTALDH1A1KDM4ERAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US claimed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP claimed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO claimed
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed