SCHEMBL12054282

SCHEMBL12054282

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cccc3cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ ZAP70 P43403 2/20 0.36
▸ FUT8 Q9BYC5 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33

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
SCHEMBL12063080 0.95 ENPP2 (0.41) MAPTMEN1KMT2ATHRBENPP2
SCHEMBL12054162 0.85 ENPP2 (0.36) MAPTMEN1KMT2ATHRBENPP2
SCHEMBL18633387 0.84 ENPP2 (0.47) MEN1KMT2ATHRBENPP2MAPK1
SCHEMBL12054249 0.80 TDP1 (0.45) MAPTMEN1KMT2ATDP1PIK3CA
SCHEMBL13723654 0.78 KMT2A (0.47) MAPTMEN1KMT2ATHRBENPP2
SCHEMBL13881030 0.76 MEN1 (0.53) MEN1KMT2ATHRBENPP2FUT8
SCHEMBL12062857 0.74 ENPP2 (0.43) MEN1KMT2ATHRBENPP2FUT8
SCHEMBL18633556 0.74 ENPP2 (0.42) MEN1KMT2ATHRBENPP2FUT8
SCHEMBL20314641 0.73 MEN1 (0.47) MEN1KMT2ATHRBENPP2FUT8
SCHEMBL12054299 0.72 MEN1 (0.37) MAPTMEN1KMT2ATHRBENPP2

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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