SCHEMBL7301496

SCHEMBL7301496

CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.73
HPGD P15428 1/20 0.73
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.70
MAPK1 P28482 5/20 0.70
ALDH1A1 P00352 5/20 0.70
GLA P06280 1/20 0.70
CASP3 P42574 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
MAPT P10636 9/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
LMNA P02545 4/20 0.63
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
GAA P10253 1/20 0.62

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
SCHEMBL11189491 0.89 HCAR3 (0.65) HTTHPGDRAB9ANPC1MAPK1
SCHEMBL7301422 0.87 HTT (0.73) HTTHPGDRAB9ANPC1MAPK1
SCHEMBL7294073 0.87 HTT (0.81) HTTHPGDRAB9ANPC1MAPK1
SCHEMBL7302107 0.86 NPC1 (0.69) HTTHPGDRAB9ANPC1MAPK1
SCHEMBL7301679 0.86 HTT (0.71) HTTHPGDRAB9ANPC1MAPK1
SCHEMBL7301504 0.86 HTT (0.71) HTTHPGDRAB9ANPC1MAPK1
SCHEMBL5225002 0.85 HTT (0.70) HTTHPGDRAB9ANPC1MAPK1
SCHEMBL7300516 0.84 HTT (1.00) HTTHPGDRAB9ANPC1MAPK1
SCHEMBL5376613 0.84 HTT (0.77) HTTHPGDRAB9ANPC1MAPK1
SCHEMBL7245174 0.84 NPC1 (0.76) HTTRAB9ANPC1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed