SCHEMBL12062853

SCHEMBL12062853

C=CS(=O)(=O)c1cccc(N(CC)c2nc(Cl)nc(Nc3ccc(C)c4cccc(S(=O)(=O)O)c34)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 2/20 0.35
▸ CHAT P28329 4/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ FUT8 Q9BYC5 1/20 0.32
▸ HPGDS O60760 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ APEX1 P27695 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
SCHEMBL15255575 0.75 MEN1 (0.37) MEN1THRBKMT2AFUT8
SCHEMBL13454544 0.75 MEN1 (0.37) MEN1THRBKMT2AFUT8
SCHEMBL22861908 0.74 FUT8 (0.55) MEN1KMT2AFUT8
SCHEMBL13823293 0.74 CHAT (0.63) CHATENPP3ENPP1MEN1THRB
SCHEMBL20008109 0.74 FUT8 (0.52) MEN1THRBKMT2AFUT8
SCHEMBL881777 0.74 FUT8 (0.52) MEN1THRBKMT2AFUT8
SCHEMBL13196225 0.70 CA12 (0.36) CHATENPP3ENPP1KMT2ACA12
SCHEMBL19754267 0.69 FUT8 (0.58) MEN1THRBKMT2AFUT8HPGDS
SCHEMBL14149031 0.69 FUT8 (0.46) CHATENPP3ENPP1MEN1THRB
SCHEMBL9010612 0.69 CHAT (0.50) SNCACHATENPP3ENPP1MEN1

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-8083811-B2 Mixtures of reactive dyes and their use in a method for trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2011-12-27 — — US disclosed
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