SCHEMBL14546740

SCHEMBL14546740

COc1ccc(/N=N/c2cc(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(N)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c2N)c(S(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SLC10A1 Q14973 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL14546755 1.00 ENPP2 (0.38) ENPP2PHLPP2THRBMEN1KMT2A
SCHEMBL14546785 0.92 THRB (0.33) ENPP2PHLPP2THRBMEN1KMT2A
SCHEMBL14546789 0.92 THRB (0.33) ENPP2PHLPP2THRBMEN1KMT2A
SCHEMBL14546783 0.92 THRB (0.33) ENPP2PHLPP2THRBMEN1KMT2A
SCHEMBL14546768 0.92 ENPP2 (0.43) ENPP2PHLPP2THRBMEN1KMT2A
SCHEMBL14546781 0.92 ENPP2 (0.43) ENPP2PHLPP2THRBMEN1KMT2A
SCHEMBL12052821 0.91 ENPP2 (0.33) ENPP2PHLPP2THRBMEN1KMT2A
SCHEMBL14546780 0.89 PRMT1 (0.42) ENPP2PHLPP2THRBMEN1KMT2A
SCHEMBL14546968 0.88 PHLPP2 (0.48) ENPP2PHLPP2THRBMEN1KMT2A
SCHEMBL17384340 0.88 ENPP2 (0.46) ENPP2PHLPP2THRBMEN1KMT2A

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
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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