SCHEMBL690703

SCHEMBL690703

COc1c(NC(=O)C2CC2)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.42
GSK3B P49841 2/20 0.40
TSHR P16473 1/20 0.40
MAPK14 Q16539 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK10 P53779 1/20 0.39
PARP1 P09874 1/20 0.39
GSK3A P49840 1/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL1850153 0.83 KDM4E (0.49) KDM4EALDH1A1TSHRMAPK14RXFP1
SCHEMBL689916 0.83 ALDH1A1 (0.44) KDM4EALDH1A1MAPK14MAPK10GSK3A
SCHEMBL16106403 0.83 GSK3A (0.43) KDM4EALDH1A1MAPK14MAPK10GSK3A
SCHEMBL692574 0.83 GSK3A (0.41) KDM4EALDH1A1MAPK14MAPK10GSK3A
SCHEMBL692947 0.80 HTT (0.42) KDM4EALDH1A1MAPK14GSK3ASMN1; SMN2
SCHEMBL721145 0.79 LMNA (0.44) KDM4EALDH1A1MAPK14GSK3A
SCHEMBL690241 0.78 MAPK14 (0.41) ALDH1A1MAPK14
SCHEMBL690623 0.78 RARG (0.41) KDM4EALDH1A1TSHRMAPK10PARP1
SCHEMBL690666 0.76 GSK3A (0.37) KDM4EALDH1A1MAPK14MAPK10GSK3A
SCHEMBL690060 0.75 MAPK14 (0.53) MAPK14

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