SCHEMBL2649889

SCHEMBL2649889

NN=Cc1ccc(O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
GCGR P47871 9/20 0.49
HDAC3 O15379 1/20 0.47
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
LDHA P00338 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 4/20 0.43
CAPN1 P07384 3/20 0.42
CTSB P07858 2/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL17548944 0.82 IDO1 (0.54) IDO1GCGRHDAC3EP300KAT2B
SCHEMBL17988288 0.82 IDO1 (0.54) IDO1GCGRHDAC3EP300KAT2B
SCHEMBL2649229 0.77 GCGR (0.45) GCGRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7708552 0.76 IDO1 (0.65) IDO1GCGRHDAC3EP300KAT2B
SCHEMBL2650612 0.76 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2650508 0.76 GRIN2D (0.37) GCGRMEN1KMT2AGRIN2DGRIN3B
SCHEMBL5394247 0.74 CA12 (0.50) IDO1GCGRMEN1KMT2A
SCHEMBL5394241 0.74 CA12 (0.50) IDO1GCGRMEN1KMT2A
SCHEMBL2316554 0.74 CA12 (0.59) MEN1KMT2ACRHBPCRHR2
SCHEMBL29615332 0.74 CA12 (0.59) MEN1KMT2ACRHBPCRHR2

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 3 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 disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed