SCHEMBL7924879

SCHEMBL7924879

CC(C)(C)N1C(=O)c2ccc(C(=O)Cl)cc2S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
HDAC1 Q13547 6/20 0.37
HDAC2 Q92769 6/20 0.37
LPAR2 Q9HBW0 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
ELANE P08246 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7916345 0.80 MEN1 (0.53) PTGDR2RAB9ANPC1HPGDMEN1
SCHEMBL7335719 0.79 PTGDR2 (0.44) PTGDR2CA12CA1CA9RAB9A
SCHEMBL17191865 0.72 PTGDR2 (0.38) PTGDR2CA12CA1CA9RAB9A
SCHEMBL8550940 0.72 CA9 (0.59) CA12CA1CA9KMT2AELANE
SCHEMBL14199817 0.68 CHEK1 (0.61) HPGDMEN1ALDH1A1KMT2ANPSR1
SCHEMBL16126846 0.67 CA9 (0.37) PTGDR2CA12CA1CA9RAB9A
SCHEMBL14414741 0.66 CHEK1 (0.54) HPGDMEN1ALDH1A1KMT2ANPSR1
SCHEMBL2154079 0.66 HSP90AA1 (0.41) HDAC1HSP90AA1ALDH1A1POLB
SCHEMBL4853822 0.65 ALDH1A1 (0.53) HPGDMEN1ALDH1A1KMT2APOLB
SCHEMBL8533479 0.65 CHEK1 (0.39) HPGDMEN1ALDH1A1KMT2A

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-6228808-B1 BROAD SPECTRUM PRE-EMERGENCE OR POST-EMERGENCE HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 2001-05-08 US disclosed