SCHEMBL10562829

SCHEMBL10562829

C=CCOCC(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 3/20 0.55
HTT P42858 3/20 0.55
HSD17B10 Q99714 1/20 0.55
TP53 P04637 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC4 P56524 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46
HDAC5 Q9UQL6 5/20 0.46
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL8752419 0.81 MAPT (0.68) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL8752469 0.78 ALDH1A1 (0.68) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL1968295 0.77 HDAC3 (0.53) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL1712196 0.76 GSK3B (0.48) ALDH1A1MAPTRAB9ANPC1L3MBTL1
SCHEMBL1711929 0.76 NPC1 (0.47) ALDH1A1MAPTRAB9AHTTSMN1; SMN2
SCHEMBL1712729 0.76 TDP1 (0.47) ALDH1A1MAPTRAB9AHIF1ASMN1; SMN2
SCHEMBL10580254 0.76 ALDH1A1 (0.57) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL7922185 0.75 HTT (0.68) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL11116780 0.73 ALDH1A1 (0.72) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL1712359 0.73 GSK3B (0.51) ALDH1A1MAPTRAB9APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4820819-A 5-phenyl-3[2H]-pyridazinone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-04-11 US disclosed
US-4678786-A Pharmaceutical compositions having β-adrenoceptor antagonist activity employing pyridazinone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-07-07 US disclosed
EP-0138344-A2 Pyridazinones as beta-adrenoceptor antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-04-24 EP disclosed
US-4474787-A 7,6 Dioxo-4H,6H-pyrano[3,2-g]quinoline dicarboxylic acids and anti-allergic use thereof FISONS LIMITED (GB) 1984-10-02 US disclosed