SCHEMBL7360197

SCHEMBL7360197

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.49
ALDH1A1 P00352 6/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 1/20 0.49
PTPN1 P18031 1/20 0.48
PTPN12 Q05209 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
GAA P10253 2/20 0.44
NTSR1 P30989 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7360203 1.00 MAPT (0.49) MAPTALDH1A1LMNAHTTPTPN1
SCHEMBL7358436 0.90 MAPT (0.50) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL7358440 0.90 MAPT (0.50) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL7362000 0.89 MAPT (0.55) MAPTALDH1A1LMNAHTTPTPN1
SCHEMBL7362003 0.89 MAPT (0.55) MAPTALDH1A1LMNAHTTPTPN1
SCHEMBL7362783 0.86 P4HB (0.50) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL7362784 0.86 P4HB (0.50) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL7360120 0.83 MAPT (0.46) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL7360118 0.83 MAPT (0.46) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL7457212 0.81 PTPN1 (0.71) MAPTALDH1A1LMNAHTTPTPN1

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