SCHEMBL7229348

SCHEMBL7229348

COc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1C=NNC(=O)c1ccc(O)c(C#N)c1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.85
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
HPGD P15428 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
SCHEMBL7229343 1.00 GCGR (0.85) GCGRALDH1A1MAPTKDM4ERAB9A
SCHEMBL2646449 0.92 GCGR (1.00) GCGRALDH1A1MAPTKDM4ERAB9A
SCHEMBL2646445 0.92 GCGR (1.00) GCGRALDH1A1MAPTKDM4ERAB9A
SCHEMBL2647100 0.90 GCGR (1.00) GCGRALDH1A1MAPTRAB9AHPGD
SCHEMBL2647101 0.90 GCGR (1.00) GCGRALDH1A1MAPTRAB9AHPGD
SCHEMBL2646623 0.90 GCGR (0.84) GCGRALDH1A1MAPTKDM4ERAB9A
SCHEMBL2646622 0.90 GCGR (0.84) GCGRALDH1A1MAPTKDM4ERAB9A
SCHEMBL9071649 0.88 GCGR (0.71) GCGRALDH1A1MAPTKDM4ERAB9A
SCHEMBL2647412 0.87 GCGR (0.79) GCGRALDH1A1MAPTKDM4ERAB9A
SCHEMBL2647415 0.87 GCGR (0.79) GCGRALDH1A1MAPTKDM4ERAB9A

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
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