SCHEMBL6220868

SCHEMBL6220868

CCOC(=O)c1cn(C2CC2)c2c(OC)c([N+](=O)[O-])ccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ GSK3B P49841 2/20 0.40
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL6218398 0.85 KCNH2 (0.49) KCNH2POLBALDH1A1MAPTLMNA
SCHEMBL7496082 0.84 KCNH2 (0.48) KCNH2POLBALDH1A1MAPTLMNA
SCHEMBL116273 0.84 ADRB2 (0.52) KCNH2POLBALDH1A1ADRB2TDP1
SCHEMBL7122628 0.79 KCNH2 (0.44) KCNH2ALDH1A1MAPTLMNAADRB2
SCHEMBL28413965 0.78 ADRB2 (0.55) KCNH2POLBALDH1A1LMNAADRB2
SCHEMBL6215702 0.77 TDP1 (0.48) KCNH2MAPTLMNAADRB2TDP1
SCHEMBL1345260 0.77 ADRB2 (0.44) KCNH2POLBALDH1A1ADRB2GSK3B
SCHEMBL1003852 0.77 POLB (0.52) KCNH2POLBALDH1A1MAPTLMNA
SCHEMBL1989474 0.77 ADRB2 (0.61) KCNH2POLBALDH1A1LMNAADRB2
SCHEMBL29391687 0.77 ADRB2 (0.61) KCNH2POLBALDH1A1LMNAADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343766-B1 CYCLIZATION PROCESS STEP IN THE MAKING OF QUINOLONES AND NAPHTHYRIDINES PROCTER & GAMBLE (US) 2005-07-27 — — EP disclosed
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