SCHEMBL4049374

SCHEMBL4049374

O=Cc1cncc2c1COCO2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
Ammonia Solution, Strong SCHEMBL3820514 0.98 LMNA (0.33) LMNAHPGD
SCHEMBL6678747 0.75 TDP1 (0.38) LMNAHPGDALDH1A1HSD17B10TDP1
SCHEMBL29151144 0.74 TDP1 (0.37) LMNAHPGDALDH1A1HSD17B10TDP1
SCHEMBL30389041 0.73 LMNA (0.40) LMNAHPGDALDH1A1HSD17B10TDP1
SCHEMBL27143137 0.72 ERN1 (0.31)
SCHEMBL30718710 0.72 ERN1 (0.31)
SCHEMBL4055774 0.72
SCHEMBL30453312 0.62 CA1 (0.36)
SCHEMBL15332907 0.61 ALDH1A1 (0.33) HPGDALDH1A1HSD17B10
SCHEMBL23668349 0.61 ABCG2 (0.37) ALDH1A1

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-1824825-A4 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INT INC (BB) 2009-07-08 EP disclosed
EP-1824825-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
WO-2006045203-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 WO disclosed