SCHEMBL1848243

SCHEMBL1848243

CCN(CC)Cc1cc(C(C)(C)C)cc(NC(=O)O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
GSK3A P49840 6/20 0.39
MAPK14 Q16539 9/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
SRC P12931 5/20 0.35
SYK P43405 5/20 0.35
METAP2 P50579 1/20 0.35
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL16106451 0.83 MAPK14 (0.50) GSK3AMAPK14HTTMEN1KMT2A
SCHEMBL16829471 0.80 GSK3A (0.49) GSK3AMAPK14SRCSYK
SCHEMBL16829458 0.79 MAPK14 (0.50) GSK3AMAPK14HTTMEN1KMT2A
SCHEMBL16829249 0.79 MAPK14 (0.50) GSK3AMAPK14HTTMEN1KMT2A
SCHEMBL16829221 0.79 MAPK14 (0.50) GSK3AMAPK14HTTMEN1KMT2A
SCHEMBL16829482 0.78 MAPK14 (0.38) GSK3AMAPK14HTTMEN1KMT2A
SCHEMBL16829092 0.77 MAPK14 (0.43) HPGDTSHRRAB9AGSK3AMAPK14
SCHEMBL689738 0.77 PKM (0.41) HPGDTSHRRAB9AHTTMEN1
SCHEMBL20541046 0.75 MAPK14 (0.42) GSK3AMAPK14HTTALDH1A1MAPT
SCHEMBL16829462 0.75 MAPK14 (0.39) TSHRMAPK14HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP claimed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed