SCHEMBL7296804

SCHEMBL7296804

COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.77
NPC1 O15118 6/20 0.77
RAB9A P51151 6/20 0.77
TP53 P04637 5/20 0.77
ALDH1A1 P00352 3/20 0.77
KMT2A Q03164 3/20 0.77
MEN1 O00255 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
GAA P10253 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
HTT P42858 2/20 0.69
MAPT P10636 4/20 0.62
PLAU P00749 2/20 0.61
ALOX15 P16050 2/20 0.58
PLG P00747 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC11 Q96DB2 1/20 0.58

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
SCHEMBL31680508 0.90 NPC1 (0.93) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL7243018 0.87 NR1H4 (0.72) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4248077 0.87 NPC1 (1.00) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4254168 0.87 TP53 (0.80) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL7301192 0.86 NPC1 (0.81) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL7304276 0.86 NPC1 (0.81) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL29420092 0.84 NPC1 (0.81) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL1918108 0.84 NPC1 (0.81) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL5224977 0.83 NR1H4 (0.69) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL12218147 0.83 RAB9A (0.79) SMN1; SMN2NPC1RAB9ATP53ALDH1A1

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