SCHEMBL9565238

SCHEMBL9565238

O=c1c(Cl)c(Cl)sn1CCCCn1sc(Cl)c(Cl)c1=O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 7/20 0.63
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
RGS4 P49798 2/20 0.31
RGS8 P57771 1/20 0.31
KAT2A Q92830 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8440674 0.90 KAT2B (0.63) KAT2BFAAHMGLLRGS4RGS8
SCHEMBL204793 0.89 KAT2B (0.61) KAT2BFAAHMGLLRGS4RGS8
SCHEMBL8444108 0.89 KAT2B (0.61) KAT2BFAAHMGLLRGS4RGS8
SCHEMBL13837721 0.89 KAT2B (0.61) KAT2BFAAHMGLLRGS4RGS8
SCHEMBL8445189 0.89 KAT2B (0.61) KAT2BFAAHMGLLRGS4RGS8
SCHEMBL8444109 0.88 KAT2B (0.66) KAT2BFAAHMGLLRGS4RGS8
Hydrochloric Acid SCHEMBL9130658 0.87 KAT2B (0.59) KAT2BFAAHMGLLRGS4RGS8
SCHEMBL1276432 0.84 KAT2B (0.51) KAT2BFAAHMGLLRGS4RGS8
SCHEMBL8440049 0.83 KAT2B (0.70) KAT2BFAAHMGLLRGS4RGS8
SCHEMBL2127234 0.82 KAT2B (0.52) KAT2BFAAHMGLLRGS4RGS8

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-0539091-A1 Novel bis-isothiazolones and the use thereof as microbicides ROHM AND HAAS COMPANY (US) 1993-04-28 EP disclosed