SCHEMBL8918862

SCHEMBL8918862

CCOP(=O)(CCNC(=O)c1ccncc1)OCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 2/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
EPHX2 P34913 1/20 0.47
PKM P14618 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL17202946 0.84 NPC1 (0.48) NAAAL3MBTL1RAB9AKMT2ALMNA
SCHEMBL8920179 0.83 KMT2A (0.59) RAB9AKMT2AMEN1CYP1A2CYP2C9
SCHEMBL14113830 0.78 HDAC3 (0.57) L3MBTL1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL6359135 0.77 NAAA (0.75) NAAATSHRL3MBTL1RAB9AKMT2A
SCHEMBL9339173 0.77 MAPT (0.69) NAAATSHRL3MBTL1RAB9AKMT2A
SCHEMBL14290377 0.76 NAAA (0.63) NAAATSHRL3MBTL1RAB9AKMT2A
SCHEMBL23303452 0.75 NAAA (0.57) NAAATSHRL3MBTL1RAB9AKMT2A
SCHEMBL3634350 0.74 NAAA (0.87) NAAATSHRL3MBTL1RAB9ACYP1A2
SCHEMBL8488280 0.74 NAMPT (0.64) NAAATSHRL3MBTL1RAB9AKMT2A
SCHEMBL7425339 0.74 SMN1; SMN2 (0.48) L3MBTL1RAB9ASMN1; SMN2NPC1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691366-A UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5495023-A VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0612315-A1 NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 EP disclosed
WO-1993010097-A1 NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO disclosed