SCHEMBL7302704

SCHEMBL7302704

CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
GLA P06280 2/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
MAPT P10636 4/20 0.52
GAA P10253 2/20 0.52
MAPK1 P28482 2/20 0.52
SERPINE1 P05121 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
EPHX2 P34913 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.49

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
SCHEMBL7297525 0.87 MAPT (0.69) ALDH1A1RAB9ANPC1GLAATM
SCHEMBL7292289 0.85 RAB9A (0.67) ALDH1A1RAB9ANPC1GLAATM
SCHEMBL7301522 0.85 MAPT (0.71) ALDH1A1RAB9ANPC1GLAATM
SCHEMBL14428130 0.85 MAPT (0.57) ALDH1A1RAB9ANPC1MAPTGAA
SCHEMBL7297216 0.84 CA1 (0.53) ALDH1A1RAB9ANPC1GLAATM
SCHEMBL7292413 0.84 HSD17B2 (0.58) ALDH1A1RAB9ANPC1GLAATM
SCHEMBL28803930 0.83 MAPT (0.52) ALDH1A1RAB9ANPC1ATMCA1
SCHEMBL7302258 0.82 HPGD (0.64) ALDH1A1RAB9ANPC1GLAATM
SCHEMBL5395767 0.82 KMT2A (0.62) RAB9ANPC1MAPTGAAMAPK1
SCHEMBL7291782 0.82 MAPT (0.62) ALDH1A1RAB9ANPC1MAPTGAA

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
WO-2019233474-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2019-12-12 WO disclosed
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