SCHEMBL692947

SCHEMBL692947

COc1c(NC(=O)C(C)C)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GSK3A P49840 5/20 0.41
MAPK14 Q16539 10/20 0.40
SRC P12931 4/20 0.40
SYK P43405 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL16106403 0.85 GSK3A (0.43) HTTKMT2AMEN1GSK3AMAPK14
SCHEMBL692574 0.85 GSK3A (0.41) HTTKMT2AMEN1GSK3AMAPK14
SCHEMBL689916 0.83 ALDH1A1 (0.44) HTTKMT2AMEN1GSK3AMAPK14
SCHEMBL721145 0.81 LMNA (0.44) HTTKMT2AMEN1GSK3AMAPK14
SCHEMBL690623 0.80 RARG (0.41) HTTKMT2AMEN1GSK3AKDM4E
SCHEMBL690703 0.80 KDM4E (0.46) GSK3AMAPK14KDM4EALDH1A1HPGD
SCHEMBL690666 0.78 GSK3A (0.37) HTTKMT2AMEN1GSK3AMAPK14
SCHEMBL690060 0.77 MAPK14 (0.53) MAPK14
SCHEMBL690108 0.77 ALOX5 (0.39) HTTKMT2AMEN1SYKKDM4E
SCHEMBL690766 0.76 GSK3A (0.36) HTTKMT2AMEN1GSK3AMAPK14

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