SCHEMBL689520

SCHEMBL689520

COc1c(NS(C)(=O)=O)cc(CC(C)C)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.38
EDNRA P25101 2/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK14 Q16539 1/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL690776 0.82 ADRB3 (0.37) ADRB3MAPK14CXCR1CXCR2
SCHEMBL690159 0.81 METAP2 (0.40) KDM4ESMN1; SMN2HSD17B10MAPK14MEN1
SCHEMBL689060 0.81 ADRB3 (0.39) ADRB3KDM4ESMN1; SMN2HSD17B10MAPK14
SCHEMBL690158 0.79 ADRB3 (0.39) ADRB3KDM4ESMN1; SMN2HSD17B10MAPK14
SCHEMBL690060 0.75 MAPK14 (0.53) MAPK14
SCHEMBL692913 0.74 MAPK14 (0.42) KDM4ESMN1; SMN2HSD17B10MAPK14MEN1
Hydrochloric Acid SCHEMBL689965 0.74 MAPK14 (0.52) MAPK14
SCHEMBL690277 0.72 MAPK14 (0.41) ADRB3KDM4ESMN1; SMN2HSD17B10MAPK14
SCHEMBL4056748 0.72 MAPK14 (0.37) ADRB3KDM4ESMN1; SMN2HSD17B10MAPK14
SCHEMBL5311588 0.67 MAPK14 (0.52) KDM4ESMN1; SMN2HSD17B10MAPK14

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