SCHEMBL2646445

SCHEMBL2646445

COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 1.00
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2646449 1.00 GCGR (1.00) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL7229343 0.92 GCGR (0.85) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2647970 0.92 GCGR (0.85) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL7229348 0.92 GCGR (0.85) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2647968 0.92 GCGR (0.85) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2646532 0.91 GCGR (0.83) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2646533 0.91 GCGR (0.83) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2646990 0.89 GCGR (0.80) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2646988 0.89 GCGR (0.80) GCGRMAPTKDM4EALDH1A1RAB9A
SCHEMBL2647412 0.88 GCGR (0.79) 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 4 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
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