SCHEMBL4633951

SCHEMBL4633951

N#Cc1ccc(COc2c(C(=O)O)sc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SENP2 Q9HC62 15/20 0.49
SENP1 Q9P0U3 15/20 0.49
SENP5 Q96HI0 14/20 0.49
USP2 O75604 1/20 0.47
MAOB P27338 1/20 0.47
EDNRA P25101 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PRSS12 P56730 1/20 0.44

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
SCHEMBL4604678 0.89 SRD5A2 (0.46) KDM4EALDH1A1SENP2SENP1SENP5
SCHEMBL4602746 0.88 SENP2 (0.46) SENP2SENP1SENP5USP2MAOB
SCHEMBL4633884 0.87 SENP2 (0.51) KDM4EALDH1A1SENP2SENP1SENP5
SCHEMBL4604692 0.87 SENP2 (0.50) SENP2SENP1SENP5USP2MAOB
SCHEMBL4634951 0.87 KDM4E (0.67) KDM4EALDH1A1SENP2SENP1SENP5
SCHEMBL4633871 0.85 CXCR2 (0.56) ALDH1A1MAOBEDNRAPTPN2PTPN1
SCHEMBL4632917 0.85 KMT2A (0.56) KDM4EALDH1A1SENP2SENP1SENP5
SCHEMBL4633605 0.84 FFAR1 (0.53) KDM4EALDH1A1SENP2SENP1SENP5
SCHEMBL4632927 0.84 SENP2 (0.59) KDM4EALDH1A1SENP2SENP1SENP5
SCHEMBL4632950 0.84 SENP5 (0.60) KDM4EALDH1A1SENP2SENP1SENP5

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-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed