SCHEMBL7360120

SCHEMBL7360120

COC(=O)C=C(C=CC=Cc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
P4HB P07237 2/20 0.44
KRAS P01116 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
BCHE P06276 1/20 0.41
GAA P10253 2/20 0.40
MAOA P21397 2/20 0.40
PTGS2 P35354 2/20 0.40
APP P05067 1/20 0.40
CYP19A1 P11511 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7360118 1.00 MAPT (0.46) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7358440 0.93 MAPT (0.50) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7358436 0.93 MAPT (0.50) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7360203 0.83 MAPT (0.49) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7360197 0.83 MAPT (0.49) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7398419 0.82 MAOB (0.54) MAPTALDH1A1P4HBMAOBLMNA
SCHEMBL7362783 0.81 P4HB (0.50) MAPTALDH1A1P4HBNPC1RAB9A
SCHEMBL7362784 0.81 P4HB (0.50) MAPTALDH1A1P4HBNPC1RAB9A
SCHEMBL7362000 0.80 MAPT (0.55) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7362003 0.80 MAPT (0.55) MAPTKMT2AMEN1MAPK1ALDH1A1

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