SCHEMBL5491571

SCHEMBL5491571

NC(=O)CCc1cccc(Nc2ccccc2Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.60
SIRT2 Q8IXJ6 12/20 0.56
NEK2 P51955 1/20 0.46
AURKA O14965 1/20 0.45
RHOA P61586 1/20 0.42
FFAR1 O14842 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
MAPK14 Q16539 1/20 0.42
ACVRL1 P37023 1/20 0.41

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
SCHEMBL5813249 0.83 SIRT1 (0.60) SIRT1SIRT2NEK2AURKARHOA
SCHEMBL13802509 0.79 CXCL8 (0.57) SIRT1SIRT2AURKA
SCHEMBL21257499 0.75 RAPGEF4 (0.51) MAPK14
SCHEMBL28057053 0.75 AURKA (0.64) SIRT1SIRT2NEK2AURKARHOA
SCHEMBL5777508 0.74 ITGB3 (0.56) SIRT1FFAR1
SCHEMBL2473717 0.73 HTR3E (0.59)
SCHEMBL30572312 0.73 HTR3E (0.59)
Hydrochloric Acid SCHEMBL31606746 0.71 HTR3E (0.57)
SCHEMBL5485489 0.70 TYK2 (0.48)
SCHEMBL1883307 0.70 CXCL8 (0.54) SIRT1SIRT2AURKAMAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP disclosed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO disclosed