SCHEMBL12054162

SCHEMBL12054162

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cc(SOOO)cc3cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(Nc2nc(Cl)nc(N3CCCCC3)n2)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ GBA1 P04062 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ FUT8 Q9BYC5 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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 0.85 ENPP2 (0.41) ENPP2MEN1KMT2ATHRBGBA1
SCHEMBL12054282 0.85 MAPT (0.39) ENPP2MEN1KMT2ATHRBGBA1
SCHEMBL12054196 0.83 MEN1 (0.36) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL18633387 0.82 ENPP2 (0.47) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL13723654 0.76 KMT2A (0.47) ENPP2MEN1KMT2ATHRBMAPT
SCHEMBL12054156 0.76 MEN1 (0.33) ENPP2MEN1KMT2ATHRBHTT
SCHEMBL12062857 0.72 ENPP2 (0.43) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL13881030 0.72 MEN1 (0.53) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL18633556 0.72 ENPP2 (0.42) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL13656150 0.71 FUT8 (0.31) MEN1KMT2ATHRBFUT8

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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