SCHEMBL12054299

SCHEMBL12054299

CCCS(=O)(=O)CCNC(=O)c1cccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4cc(OC)c(N=Nc5cc6c(S(=O)(=O)O)cccc6cc5S(=O)(=O)O)cc4OC)c4cccc(S(=O)(=O)O)c34)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FUT8 Q9BYC5 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HPSE Q9Y251 3/20 0.34
▸ PTK2 Q05397 2/20 0.33
▸ ENPP2 Q13822 2/20 0.32
▸ CSNK2A2 P19784 2/20 0.32
▸ CSNK2B P67870 2/20 0.32
▸ CSNK2A1 P68400 2/20 0.32
▸ CSNK2A3 Q8NEV1 2/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ SYK P43405 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
SCHEMBL12054156 0.92 MEN1 (0.33) MEN1THRBKMT2AFUT8KDM4E
SCHEMBL12054235 0.83 HPSE (0.39) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL13723654 0.76 KMT2A (0.47) MEN1THRBKMT2AFUT8KDM4E
SCHEMBL18633387 0.74 ENPP2 (0.47) MEN1THRBKMT2AFUT8ENPP2
SCHEMBL12054282 0.72 MAPT (0.39) MEN1THRBKMT2AFUT8LMNA
SCHEMBL18633556 0.71 ENPP2 (0.42) MEN1THRBKMT2AFUT8PTK2
SCHEMBL13454530 0.71 MEN1 (0.41) MEN1THRBKMT2AHPSEENPP2
SCHEMBL12062857 0.71 ENPP2 (0.43) MEN1THRBKMT2AFUT8PTK2
SCHEMBL13454545 0.71 MEN1 (0.33) MEN1THRBKMT2A
SCHEMBL12054196 0.70 MEN1 (0.36) MEN1THRBKMT2AFUT8ENPP2

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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