SCHEMBL8846787

SCHEMBL8846787

O=C(COc1ccccc1)NCCO[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ HPGD P15428 3/20 0.56
▸ RECQL P46063 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ PTPN1 P18031 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ FAAH O00519 1/20 0.48

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
SCHEMBL8846760 0.86 MEN1 (0.61) NPC1CYP2C9CYP2C19CYP1A2KDM4E
SCHEMBL8846503 0.84 PPARD (0.60) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL8846839 0.84 GAA (0.50) USP2NPC1CYP2C9CYP2C19CYP1A2
SCHEMBL9151895 0.84 ALDH1A1 (0.49) USP2NPC1CYP2C9CYP2C19CYP1A2
SCHEMBL8846641 0.81 PRMT5 (0.46) USP2NPC1CYP2C9CYP2C19CYP1A2
SCHEMBL8846600 0.81 HPGD (0.68) HPGDTSHRKMT2AALDH1A1MEN1
SCHEMBL8846863 0.81 HSD17B10 (0.70) HPGDTSHRKMT2AALDH1A1MAPT
SCHEMBL8846603 0.79 MEN1 (0.49) NPC1CYP2C9CYP2C19KMT2AMEN1
SCHEMBL9152090 0.79 PTGDR2 (0.51) USP2NPC1CYP2C9CYP2C19KDM4E
SCHEMBL9868600 0.79 CYP1A2 (0.89) USP2NPC1CYP2C9CYP2C19CYP1A2

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

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