SCHEMBL689916

SCHEMBL689916

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTT P42858 3/20 0.43
MAPK14 Q16539 6/20 0.41
GSK3A P49840 4/20 0.41
SRC P12931 3/20 0.41
SYK P43405 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
IKBKB O14920 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
AHR P35869 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK10 P53779 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL721145 0.90 LMNA (0.44) ALDH1A1HTTMAPK14GSK3ASRC
SCHEMBL692574 0.86 GSK3A (0.41) ALDH1A1HTTMAPK14GSK3ASRC
SCHEMBL16106403 0.86 GSK3A (0.43) ALDH1A1HTTMAPK14GSK3ASRC
SCHEMBL14671121 0.85 ALDH1A1 (0.46) ALDH1A1HTTMAPK14GSK3AKMT2A
SCHEMBL690703 0.83 KDM4E (0.46) ALDH1A1MAPK14GSK3ASMN1; SMN2KDM4E
SCHEMBL692947 0.83 HTT (0.42) ALDH1A1HTTMAPK14GSK3ASRC
SCHEMBL690623 0.81 RARG (0.41) ALDH1A1HTTGSK3AKMT2AMEN1
SCHEMBL690666 0.80 GSK3A (0.37) ALDH1A1HTTMAPK14GSK3ASRC
SCHEMBL690109 0.79 SCARB1 (0.44) ALDH1A1MAPK14GSK3ASRCSYK
SCHEMBL690060 0.78 MAPK14 (0.53) MAPK14SCARB1

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