SCHEMBL7295293

SCHEMBL7295293

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.69
NPC1 O15118 10/20 0.69
TP53 P04637 5/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
ALOX15 P16050 1/20 0.69
ALDH1A1 P00352 5/20 0.62
CYP1A2 P05177 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54

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
SCHEMBL7293363 1.00 RAB9A (0.69) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL2814428 0.84 KMT2A (0.60) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL7304276 0.84 NPC1 (0.81) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL7301192 0.84 NPC1 (0.81) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL6799157 0.83 RAB9A (1.00) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL7301443 0.82 RAB9A (0.71) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL13930992 0.82 RAB9A (0.71) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL7300709 0.82 RAB9A (0.71) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL6558299 0.80 KDM4E (0.65) TP53SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL989033 0.80 TAAR1 (0.56) RAB9ANPC1ALOX15ALDH1A1LMNA

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