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SCHEMBL9429068

SCHEMBL9429068

CSc1ccc(/C=C/C(=O)c2ccccc2OCCCN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ HRH1 P35367 3/20 0.46
▸ MAOB P27338 11/20 0.44
▸ HTR1A P08908 2/20 0.42
▸ MAOA P21397 3/20 0.42
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ HRH3 Q9Y5N1 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
SCHEMBL30383723 1.00 KEAP1 (0.46) KEAP1NFE2L2HRH1MAOBHTR1A
SCHEMBL9429064 1.00 KEAP1 (0.46) KEAP1NFE2L2HRH1MAOBHTR1A
Oxalic Acid SCHEMBL9428687 0.98 HRH1 (0.46) KEAP1NFE2L2HRH1MAOBHTR1A
Oxalic Acid SCHEMBL9428684 0.98 HRH1 (0.46) KEAP1NFE2L2HRH1MAOBHTR1A
SCHEMBL9428634 0.92 KEAP1 (0.50) KEAP1NFE2L2HRH1MAOBHTR1A
SCHEMBL9428628 0.92 KEAP1 (0.50) KEAP1NFE2L2HRH1MAOBHTR1A
SCHEMBL9428775 0.89 MAOB (0.50) KEAP1NFE2L2HRH1MAOBHTR1A
SCHEMBL9428778 0.89 MAOB (0.50) KEAP1NFE2L2HRH1MAOBHTR1A
SCHEMBL30383471 0.89 MAOB (0.50) KEAP1NFE2L2HRH1MAOBHTR1A
SCHEMBL9429206 0.88 KEAP1 (0.47) KEAP1NFE2L2HRH1MAOBHTR1A

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
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 — — US disclosed