SCHEMBL8529337

SCHEMBL8529337

O=C(O)CCCn1sc(Cl)cc1=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 10/20 0.68
KAT2A Q92830 1/20 0.47
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
KMO O15229 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F13A1 P00488 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL21886869 0.82 KAT2B (0.72) KAT2BKAT2APTGS1PTGS2HSD17B10
SCHEMBL8533834 0.81 KAT2B (1.00) KAT2B
SCHEMBL21814603 0.80 KAT2B (0.56) KAT2BKAT2AKMOCA12CA1
SCHEMBL9234887 0.77 KAT2B (0.61) KAT2BKDM4ECA12CA1CA9
SCHEMBL11193788 0.75 KAT2B (0.97) KAT2BPTGS1PTGS2HSD17B10CA12
SCHEMBL9565234 0.75 KAT2B (0.97) KAT2BPTGS1PTGS2HSD17B10CA12
SCHEMBL11189889 0.73 KAT2B (0.77) KAT2BHSD17B10CA12CA1CA9
SCHEMBL21814437 0.72 KAT2B (0.65) KAT2BKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL11713957 0.72 KAT2B (0.90) KAT2BPTGS1PTGS2HSD17B10CA12
SCHEMBL1533676 0.70

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-0592127-B1 Immunoassay for isothiazolones ROHM & HAAS (US) 1998-04-15 EP disclosed
US-5554542-A Immunoassay for isothiazolones ROHM AND HAAS COMPANY (US) 1996-09-10 US disclosed
EP-0592127-A1 Immunoassay for isothiazolones ROHM AND HAAS COMPANY (US) 1994-04-13 EP disclosed