SCHEMBL7088098

SCHEMBL7088098

N#CC=NN1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
RAB9A P51151 5/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 5/20 0.36
GAA P10253 4/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
APEX1 P27695 1/20 0.36
MPI P34949 1/20 0.36
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL8636567 1.00 POLB (0.38) POLBRAB9ALMNAMAPTGAA
SCHEMBL6855828 0.80
SCHEMBL14609687 0.78 CTSL (0.39) POLBRAB9AGAAL3MBTL1NPC1
SCHEMBL8635127 0.70 RAB9A (0.30) RAB9A
SCHEMBL9975293 0.69
Bromide SCHEMBL1819096 0.67 POLB (0.40) POLBRAB9ALMNAMAPTGAA
SCHEMBL9944268 0.64 RAB9A (0.41) POLBRAB9ALMNAMAPTGAA
SCHEMBL3111358 0.64
SCHEMBL1195406 0.60 ALDH1A1 (0.38) POLBRAB9AMAPTALDH1A1RECQL
SCHEMBL1195408 0.60 ALDH1A1 (0.38) POLBRAB9AMAPTALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705255-B1 N-MORPHOLINO-N-NITROSAMINOACETONITRIL CYCLODEXTRIN INCLUSION COMPLEXES THERABEL IND SA (FR) 2000-11-22 EP claimed
EP-0687258-B1 SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT HOECHST AG (DE) 1998-07-22 EP claimed
US-5698535-A RELEASING NITROUS OXIDE WHEN DISSOLVED IN AQUEOUS MEDIUM; DRUG THERABEL INDUSTRIES, S.A. (FR) 1997-12-16 US claimed
EP-0687258-A1 SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-20 EP claimed
WO-1994020482-A1 SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-15 WO claimed
EP-1079829-B1 USE OF BENZOFUROXAN DERIVATIVES IN TREATING ANGINA PECTORIS TORRENT PHARMACEUTICALS LTD (IN) 2003-07-23 EP disclosed
US-6248895-B1 USED FOR CARDIOVASCULAR DISORDERS TORRENT PHARMACEUTICALS LTD. (IN) 2001-06-19 US disclosed
US-6232331-B1 TOLERANCE RESISTANT NITRIC OXIDE DONORS IN TREATMENT OF ANGINA PECTORIS TORRENT PHARMACEUTICAL LTD. (IN) 2001-05-15 US disclosed
EP-1080081-A1 BENZOFUROXAN DERIVATIVES AND THEIR USE IN TREATING ANGINA PECTORIS Torrent Pharmaceuticals Ltd (IN) 2001-03-07 EP disclosed
WO-1999061430-A1 BENZOFUROXAN DERIVATIVES AND THEIR USE IN TREATING ANGINA PECTORIS SANKARANARAYANAN ALANGUDI (IN) 1999-12-02 WO disclosed
EP-0687258-B1 SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT HOECHST AG (DE) 1998-07-22 EP disclosed
EP-0687258-A1 SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-20 EP disclosed
WO-1994020482-A1 SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-15 WO disclosed