SCHEMBL7362000

SCHEMBL7362000

COC(=O)/C=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 3/20 0.55
LMNA P02545 4/20 0.55
HTT P42858 1/20 0.55
PTPN1 P18031 1/20 0.54
PTPN12 Q05209 1/20 0.54
PTPN22 Q9Y2R2 1/20 0.54
KRAS P01116 1/20 0.52
MAOB P27338 3/20 0.51
BCHE P06276 1/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 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
SCHEMBL7362003 1.00 MAPT (0.55) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7360203 0.89 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7360197 0.89 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7358440 0.87 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7358436 0.87 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7360120 0.80 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7360118 0.80 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7454702 0.79 PTPN1 (0.82) MAPTALDH1A1LMNAHTTPTPN1
SCHEMBL7366612 0.79 PTPN1 (0.82) MAPTALDH1A1LMNAHTTPTPN1
SCHEMBL522693 0.78 CA12 (0.62) MAPTKMT2AMEN1ALDH1A1MAPK1

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
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 US disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed