SCHEMBL2656010

SCHEMBL2656010

COc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.81
MAPT P10636 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
ADCYAP1R1 P41586 1/20 0.47

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
SCHEMBL2656013 1.00 GCGR (0.81) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL9071655 0.93 GCGR (0.71) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2655438 0.91 GCGR (0.83) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2655444 0.91 GCGR (0.83) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2647415 0.90 GCGR (0.79) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2647412 0.90 GCGR (0.79) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2646990 0.87 GCGR (0.80) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2646988 0.87 GCGR (0.80) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2646623 0.86 GCGR (0.84) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL7238629 0.86 GCGR (0.67) GCGRMAPTKDM4EALDH1A1RAB9A

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 7 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
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed