SCHEMBL8846839

SCHEMBL8846839

O=C(COc1cccc(Cl)c1)NCCO[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ NOTUM Q6P988 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.45
▸ HTT P42858 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ NCOA2 Q15596 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NR2E3 Q9Y5X4 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ ENPP2 Q13822 2/20 0.44

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
SCHEMBL8846503 0.85 PPARD (0.60) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL8846760 0.85 MEN1 (0.61) GAAALOX12MEN1KMT2ALMNA
SCHEMBL8846787 0.84 USP2 (0.62) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL8846641 0.82 PRMT5 (0.46) ALDH1A1TP53MEN1KMT2ANPC1
SCHEMBL8846658 0.79 MAPT (0.60) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL8846600 0.78 HPGD (0.68) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL9151895 0.75 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1USP2
SCHEMBL7508983 0.74 HIF1A (0.52) MEN1KMT2ALMNACYP1A2CYP2C9
SCHEMBL22227971 0.73 ALDH1A1 (0.66) GAAALOX12ALDH1A1NOTUMTP53
SCHEMBL30602658 0.73 ALDH1A1 (0.66) GAAALOX12ALDH1A1NOTUMTP53

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-0641768-B1 NITROXYALKYLAMIDE DERIVATIVE SANKYO CO (JP) 1997-07-23 — — EP disclosed
US-5580893-A TREATMENT AND PREVENTION OF ANGINA PECTORIS; SIDE-EFFECT REDUCTION; VASODILATION SANKYO COMPANY, LIMITED (JP) 1996-12-03 — — US disclosed
EP-0641768-A1 NITROXYALKYLAMIDE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 — — EP disclosed
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