SCHEMBL7645920

SCHEMBL7645920

CC1=C(c2ccccc2)C(=O)NCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
PTGS2 P35354 10/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
PTGS1 P23219 3/20 0.37
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MT-CO2 P00403 1/20 0.36
HTR1A P08908 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MC4R P32245 1/20 0.36
PDE4B Q07343 1/20 0.36
GSK3B P49841 2/20 0.36
PDGFRA P16234 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK5 Q00535 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL8783438 0.72 CLK4 (0.43) KMT2APTGS2PARP10PARP11PDE4B
SCHEMBL7209835 0.67 KMT2A (0.36) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL3189685 0.67 CA9 (0.38) KMT2APTGS2ALDH1A1PDE4BGSK3B
SCHEMBL6184759 0.66 KMT2A (0.48) KMT2APTGS2PARP10PARP11PTGS1
SCHEMBL9766158 0.66 KMT2A (0.64) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL11091390 0.66 KDR (0.47) KMT2APTGS2PTGS1CLK4
SCHEMBL8985623 0.64 PTGS2 (0.44) KMT2APTGS2PARP10PARP11ALDH1A1
SCHEMBL94149 0.63 GSK3B (0.58) PTGS2PDE4BGSK3B
SCHEMBL22157876 0.63 PTGS2 (0.51) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL4481213 0.63 PTGS2 (0.40) KMT2APTGS2PARP10PARP11ALDH1A1

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
US-6486096-B1 Herbicidal compositions with acylated aminophenylsulfonylureas HOECHST SCHERING AGREVO GMBH (DE) 2002-11-26 US disclosed