SCHEMBL10378693

SCHEMBL10378693

CN(C)C=Cc1[nH]c(=O)ccc1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ NSD2 O96028 1/20 0.33
▸ P4HB P07237 1/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ DNTT P04053 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDK1 Q15118 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ PDK4 Q16654 1/20 0.31

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
SCHEMBL10378691 1.00 SIGMAR1 (0.35) SIGMAR1TMEM97CA1CA2CYP11B1
SCHEMBL10377563 0.85 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL10377561 0.85 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL10379184 0.84 LMNA (0.46) ALDH1A1MAPTKMT2ALMNA
SCHEMBL10377661 0.84 MAPT (0.46) CYP11B1CYP11B2ALDH1A1MAPTKMT2A
SCHEMBL10378505 0.84 LMNA (0.46) ALDH1A1MAPTKMT2ALMNA
SCHEMBL10377357 0.84 CYP1A2 (0.46) KMT2AL3MBTL1
SCHEMBL10377359 0.84 CYP1A2 (0.46) KMT2AL3MBTL1
SCHEMBL10377663 0.83 RECQL (0.43) ALDH1A1MAPTKMT2ALMNA
SCHEMBL10377662 0.83 RECQL (0.43) ALDH1A1MAPTKMT2ALMNA

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-0168037-B1 1-6-NAPHTHYRIDIN-2(1H)-ONES USEFUL AS CARDIOTONICS STERLING DRUG INC. (US) 1990-02-07 — — EP disclosed
EP-0168037-A2 1-6-Naphthyridin-2(1H)-ones useful as cardiotonics STERLING DRUG INC. (US) 1986-01-15 — — EP disclosed
US-4560691-A 5-(Phenyl)-1,6-naphthyridin-2(1H)-ones, their cardiotonic use and preparation STERLING DRUG INC. (US) 1985-12-24 — — US disclosed
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