SCHEMBL380995

SCHEMBL380995

CC(C)(C)N(C(=O)O)C(CNS(C)(=O)=O)c1cccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ITGAV P06756 1/20 0.35
CXCL8 P10145 2/20 0.34
OPRM1 P35372 3/20 0.34
RECQL P46063 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
HIF1A Q16665 1/20 0.33
CNR1 P21554 1/20 0.33
HSD11B1 P28845 1/20 0.33
ATM Q13315 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL19244867 0.91 OPRM1 (0.42) CXCL8OPRM1ADRB2ADRB1CYP2D6
SCHEMBL381522 0.90 MEN1 (0.35) KMT2AMEN1ITGAVCXCL8OPRM1
SCHEMBL19244878 0.82 OPRM1 (0.39) KMT2AMEN1CXCL8OPRM1ADRB2
SCHEMBL19244855 0.81 MEN1 (0.41) KMT2AMEN1CXCL8OPRM1CYP2D6
SCHEMBL417713 0.81 OPRM1 (0.38) KMT2AMEN1ITGAVOPRM1
SCHEMBL381393 0.80 NISCH (0.43) KMT2AMEN1CXCL8CYP2D6NFKB1
SCHEMBL19244883 0.80 OPRM1 (0.41) KMT2AMEN1CXCL8OPRM1ADRB2
SCHEMBL381228 0.79 MEN1 (0.39) KMT2AMEN1CXCL8OPRM1CYP2D6
SCHEMBL382042 0.79 CNR2 (0.40) KMT2AMEN1HSD11B1
SCHEMBL19244879 0.76 MEN1 (0.37) KMT2AMEN1CXCL8CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed