SCHEMBL16387115

SCHEMBL16387115

[3H]c1nc(C)nc(Nc2cccc(/N=N/c3c(S(=O)(=O)O)cc4ccc(/N=N/c5ccccc5)c(N)c4c3O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.51
▸ CYP1A2 P05177 2/20 0.41
▸ FUT8 Q9BYC5 1/20 0.39
▸ PRMT3 O60678 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PHLPP2 Q6ZVD8 3/20 0.38
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37

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
SCHEMBL14981561 0.92 ENPP2 (0.54) ENPP2CYP1A2FUT8PRMT3EP300
SCHEMBL13481857 0.87 ENPP2 (0.48) ENPP2CYP1A2FUT8PRMT3EP300
SCHEMBL14134065 0.83 ENPP2 (0.46) ENPP2CYP1A2FUT8PRMT3EP300
SCHEMBL12172946 0.82 ENPP2 (0.51) ENPP2CYP1A2FUT8PRMT3EP300
SCHEMBL13481841 0.82 ENPP2 (0.44) ENPP2CYP1A2FUT8PRMT3EP300
SCHEMBL18218128 0.81 ENPP2 (0.62) ENPP2CYP1A2PRMT3EP300PRMT6
SCHEMBL12943143 0.81 ENPP2 (0.68) ENPP2CYP1A2PRMT3EP300PRMT6
SCHEMBL12906974 0.81 ENPP2 (0.54) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL12172927 0.79 FUT8 (0.56) ENPP2CYP1A2FUT8PRMT1MEN1
SCHEMBL18218144 0.79 FUT8 (0.56) ENPP2CYP1A2FUT8PRMT1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371611-B2 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC (US) 2016-06-21 — — US disclosed
US-20150000051-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INT LLC (US) 2015-01-01 — — US disclosed
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