SCHEMBL2663644

SCHEMBL2663644

COc1cc(C(=O)N/N=C/c2ccc3ccccc3c2)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.74
GAA P10253 3/20 0.73
KDM4E B2RXH2 2/20 0.73
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
POLB P06746 4/20 0.72
DNM1 Q05193 1/20 0.71
ESR1 P03372 1/20 0.67
ESRRG P62508 1/20 0.67
ESR2 Q92731 1/20 0.67
NR1I2 O75469 1/20 0.64
AHR P35869 1/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64

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
SCHEMBL28515978 0.89 GAA (0.81) GCGRGAAKDM4EMEN1KMT2A
SCHEMBL2830968 0.86 DNM1 (0.90) GCGRGAADNM1ESR1ESRRG
SCHEMBL2830971 0.86 DNM1 (0.90) GCGRGAADNM1ESR1ESRRG
SCHEMBL13475421 0.86 DNM1 (0.90) GCGRGAADNM1ESR1ESRRG
SCHEMBL2663821 0.85 GCGR (1.00) GCGRGAAKDM4EMEN1KMT2A
SCHEMBL28521274 0.84 GAA (0.77) GCGRGAAKDM4EMEN1KMT2A
SCHEMBL28521660 0.84 GCGR (0.78) GCGRGAAKDM4EMEN1KMT2A
SCHEMBL11157751 0.84 GAA (1.00) GCGRGAAKDM4EMEN1KMT2A
SCHEMBL28510648 0.84 GAA (0.80) GCGRGAAKDM4EMEN1KMT2A
SCHEMBL2542993 0.83 GAA (0.80) GCGRGAAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed