SCHEMBL8846503

SCHEMBL8846503

Cc1cccc(OCC(=O)NCCO[N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.60
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ HSD17B10 Q99714 1/20 0.55
▸ POLB P06746 3/20 0.53
▸ HTT P42858 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MAPK1 P28482 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL8846839 0.85 GAA (0.50) PPARDKMT2AMEN1HTTGAA
SCHEMBL8846641 0.85 PRMT5 (0.46) PPARDKMT2AMEN1HTTMAPT
SCHEMBL8846787 0.84 USP2 (0.62) KMT2AMEN1POLBHTTMAPT
SCHEMBL7508983 0.79 HIF1A (0.52) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL13458590 0.77 KMT2A (0.67) PPARDKMT2AMEN1HSD17B10POLB
SCHEMBL8846760 0.77 MEN1 (0.61) KMT2AMEN1HTTMAPTGAA
SCHEMBL16384637 0.77 ALDH1A1 (0.63) PPARDKMT2AMEN1HSD17B10POLB
SCHEMBL22040865 0.75 PPARD (1.00) PPARDKMT2AMEN1HSD17B10POLB
SCHEMBL26382364 0.75 PPARD (0.83) PPARDKMT2AMEN1HSD17B10POLB
SCHEMBL9151895 0.75 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1

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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