SCHEMBL13723654

SCHEMBL13723654

CNc1nc(Cl)nc(Nc2ccc(/N=N\c3cc(OC)c(N=Nc4cc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5cc4S(=O)(=O)O)cc3OC)c3cccc(S(=O)(=O)O)c23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ FUT8 Q9BYC5 1/20 0.44
▸ ENPP2 Q13822 4/20 0.40
▸ PRMT1 Q99873 2/20 0.37
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PTK2 Q05397 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 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
SCHEMBL13724001 0.94 MEN1 (0.53) KMT2AMEN1THRBFUT8ENPP2
SCHEMBL18633387 0.92 ENPP2 (0.47) KMT2AMEN1THRBFUT8ENPP2
SCHEMBL18633526 0.85 MEN1 (0.54) KMT2AMEN1THRBFUT8ENPP2
SCHEMBL12063080 0.84 ENPP2 (0.41) KMT2AMEN1THRBFUT8ENPP2
SCHEMBL18633525 0.82 MEN1 (0.53) KMT2AMEN1THRBFUT8ENPP2
SCHEMBL12062857 0.82 ENPP2 (0.43) KMT2AMEN1THRBFUT8ENPP2
SCHEMBL18633556 0.82 ENPP2 (0.42) KMT2AMEN1THRBFUT8ENPP2
SCHEMBL14217797 0.81 MEN1 (0.52) KMT2AMEN1THRBFUT8ENPP2
SCHEMBL13722631 0.79 ATIC (0.48) KMT2AMEN1THRBFUT8ENPP2
SCHEMBL12054196 0.79 MEN1 (0.36) KMT2AMEN1THRBFUT8ENPP2

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
EP-1954765-B1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADV MAT SWITZERLAND (CH) 2009-08-26 — — EP disclosed
WO-2007062958-A1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2007-06-07 — — WO disclosed
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