SCHEMBL5774940

SCHEMBL5774940

CC(C)CC(=O)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
SMYD3 Q9H7B4 16/20 0.54
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
GRIN2B Q13224 1/20 0.47
AHR P35869 1/20 0.46

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
Hydrochloric Acid SCHEMBL8141533 0.97 EPHX2 (0.56) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL7414824 0.89 EPHX2 (0.56) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL11764940 0.87 CRBN (0.50) EPHX2SMYD3HTR1AHTR2AHTR7
SCHEMBL4304359 0.84 EPHX2 (0.62) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL3389331 0.82 EPHX2 (0.61) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL5893824 0.82 SMYD3 (0.51) EPHX2SMYD3
SCHEMBL1557916 0.81 SMYD3 (0.54) EPHX2SMYD3AHR
SCHEMBL2306726 0.81 EPHX2 (0.59) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL1304506 0.81 EPHX2 (0.59) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL27214662 0.80 SMYD3 (0.66) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014172616-A2 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-23 WO disclosed
EP-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed
EP-1003721-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999010325-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 1999-03-04 WO disclosed