SCHEMBL10744154

SCHEMBL10744154

Cc1cccc(COC(=O)c2cc(C#N)c(=O)[nH]c2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ MMP12 P39900 2/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KDM4E B2RXH2 8/20 0.46
▸ PDE3B Q13370 3/20 0.45
▸ PDE3A Q14432 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ P2RY12 Q9H244 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL4105383 0.90 ALDH1A1 (0.52) MMP2MMP9MMP12ALDH1A1KMT2A
SCHEMBL3227136 0.80 MAPT (0.72) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL10748287 0.80 MMP12 (0.48) MMP12ALDH1A1KMT2AMAPTMEN1
SCHEMBL10747756 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL9672637 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL9673214 0.76 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL10748109 0.75 MAPT (0.54) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL10746820 0.75 KDM4E (0.53) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL10748498 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL10746252 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190265-A4 PYRIDONE ESTERS AS INOTROPIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1987-07-09 — — EP disclosed
US-4657919-A CARDIOVASCULAR DISORDERS E. I. DU PONT DE NEMOURS & CO. (US) 1987-04-14 — — US disclosed
EP-0190265-A1 PYRIDONE ESTERS AS INOTROPIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1986-08-13 — — EP disclosed
WO-1986001202-A1 PYRIDONE ESTERS AS INOTROPIC AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-02-27 — — WO disclosed
US-4555517-A Pyridone esters as inotropic agents AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-11-26 — — US disclosed
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