SCHEMBL8049463

SCHEMBL8049463

COc1cc2c(cc1[NH])=NC(=O)C(=O)N=2

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MAOA P21397 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL7784289 0.85 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4610630 0.76 S100B (0.46) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL10798636 0.72 CYP3A4 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29154360 0.72 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7786935 0.66 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8726291 0.65 CA1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7695905 0.65 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1906434 0.64 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2A
SCHEMBL7496123 0.64 S100B (0.46) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL5116095 0.63 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-0838504-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-06-07 EP disclosed
US-5834601-A DYEING CELLULOSE, WOOL, POLYAMIDE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-10 US disclosed
EP-0838504-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-04-29 EP disclosed