SCHEMBL7296019

SCHEMBL7296019

C=CCOc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
GAA P10253 1/20 0.60
KCNK9 Q9NPC2 1/20 0.59
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 5/20 0.55
NR1H4 Q96RI1 1/20 0.55
KCNK3 O14649 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 3/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL7302094 0.85 SMN1; SMN2 (0.76) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL7295349 0.85 MAPT (0.72) MAPTSMN1; SMN2KCNK9NPC1RAB9A
SCHEMBL7291413 0.85 SMN1; SMN2 (0.76) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL29639182 0.85 GAA (0.65) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL29639154 0.82 GAA (0.56) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL28741248 0.82 GAA (0.56) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL4254168 0.81 TP53 (0.80) MAPTSMN1; SMN2KCNK9NPC1RAB9A
SCHEMBL7301498 0.80 NR1H4 (0.56) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL21652225 0.80 KCNK9 (0.68) MAPTSMN1; SMN2KCNK9NPC1RAB9A
SCHEMBL28741251 0.80 GAA (0.58) MAPTSMN1; SMN2GAANPC1RAB9A

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