SCHEMBL5379543

SCHEMBL5379543

O=C(O)C(Cc1c[nH]c2ccccc12)NOCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
ACE P12821 3/20 0.58
ECE1 P42892 1/20 0.58
KMT2A Q03164 1/20 0.58
NMBR P28336 1/20 0.57
LNPEP Q9UIQ6 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
LTA4H P09960 1/20 0.56
ITGB2 P05107 2/20 0.56
ICAM1 P05362 2/20 0.56
ITGAL P20701 2/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56

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
SCHEMBL5379545 1.00 ALOX15 (0.59) ALOX15ACEECE1KMT2ANMBR
SCHEMBL8862510 0.89 ACE (0.59) ACEECE1NMBRLTA4HMMP2
SCHEMBL27455388 0.89 ACE (0.59) ACEECE1NMBRLTA4HMMP2
SCHEMBL8862514 0.89 ACE (0.59) ACEECE1NMBRLTA4HMMP2
SCHEMBL7558077 0.86 ALOX15 (0.67) ALOX15ACEECE1KMT2ASMN1; SMN2
SCHEMBL7558085 0.86 ALOX15 (0.67) ALOX15ACEECE1KMT2ASMN1; SMN2
SCHEMBL7212740 0.84 ECE1 (0.55) ECE1NMBRLNPEPMMP2MMP9
SCHEMBL231803 0.84 ALOX15 (0.66) ALOX15ACEECE1KMT2ASMN1; SMN2
SCHEMBL231804 0.84 ALOX15 (0.66) ALOX15ACEECE1KMT2ASMN1; SMN2
SCHEMBL3808330 0.83 NMBR (0.76) ALOX15ACEECE1NMBRLNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888341-B1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AVENTIS PHARMA SA (FR) 2005-11-30 EP claimed
US-7163671-B2 Long-term stabilized formulations CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-16 US disclosed
US-20030092622-A1 Preparation stabilized over long time CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-15 US disclosed
EP-1260230-A1 PREPARATIONS STABILIZED OVER LONG TIME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-11-27 EP disclosed
US-5607934-A PREVENTING AND TREATING DISEASES CAUSED BY SUPEROXIDE RADICALS, NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
CN-1112364-A Piperazine derivatives and salts thereof OTSUKA PHARMA CO LTD (JP) 1995-11-22 CN disclosed
EP-0659182-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-28 EP disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 WO disclosed