SCHEMBL721145

SCHEMBL721145

CCCC(=O)Nc1cc(C(C)(C)C)cc(C(N)=O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
GSK3A P49840 4/20 0.41
MAPK14 Q16539 4/20 0.41
SRC P12931 3/20 0.41
SYK P43405 3/20 0.41
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.38
SCARB1 Q8WTV0 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL689916 0.90 ALDH1A1 (0.44) GSK3AMAPK14SRCSYKALDH1A1
SCHEMBL16106403 0.84 GSK3A (0.43) GSK3AMAPK14SRCSYKALDH1A1
SCHEMBL692574 0.84 GSK3A (0.41) GSK3AMAPK14SRCSYKALDH1A1
SCHEMBL692947 0.81 HTT (0.42) LMNAGSK3AMAPK14SRCSYK
SCHEMBL690109 0.79 SCARB1 (0.44) GSK3AMAPK14SRCSYKALDH1A1
SCHEMBL690623 0.79 RARG (0.41) GSK3AALDH1A1MEN1HTTKMT2A
SCHEMBL690703 0.79 KDM4E (0.46) GSK3AMAPK14ALDH1A1KDM4E
SCHEMBL690666 0.77 GSK3A (0.37) GSK3AMAPK14SRCSYKALDH1A1
SCHEMBL690060 0.76 MAPK14 (0.53) MAPK14SCARB1
SCHEMBL690766 0.75 GSK3A (0.36) GSK3AMAPK14SRCSYKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323980-B1 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 INT (DE) 2012-02-29 EP claimed