SCHEMBL17384296

SCHEMBL17384296

O=C(CCCS(=O)(=O)CCCl)Nc1cc(/N=N/c2c(Nc3ccccc3)ccc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ENPP2 Q13822 8/20 0.37
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ SUMO2 P61956 1/20 0.32
▸ SUMO1 P63165 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP2 Q9HC62 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ FUT8 Q9BYC5 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ DNASE1L3 Q13609 1/20 0.32
▸ NSD2 O96028 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ CASP7 P55210 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
SCHEMBL17384045 0.92 ENPP2 (0.36) THRBMEN1KMT2AENPP2CD40
SCHEMBL17384208 0.92 ENPP2 (0.39) THRBMEN1KMT2AENPP2CD40
SCHEMBL17384271 0.90 ENPP2 (0.46) THRBENPP2CD40CD40LGSUMO2
SCHEMBL17384295 0.89 ENPP2 (0.41) THRBMEN1KMT2AENPP2MAPK1
SCHEMBL17384274 0.89 ENPP2 (0.39) THRBMEN1KMT2AENPP2CD40
SCHEMBL17384272 0.84 ENPP2 (0.41) THRBMEN1KMT2AENPP2CD40
SCHEMBL17384020 0.82 MEN1 (0.41) THRBMEN1KMT2AENPP2CD40
SCHEMBL17384206 0.81 PRMT1 (0.36) THRBMEN1KMT2AENPP2
SCHEMBL17384205 0.79 ENPP2 (0.43) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384220 0.78 CA2 (0.38) THRBENPP2CD40CD40LGSUMO2

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-2015193104-A1 MIXTURES OF REACTIVE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2015-12-23 — — WO disclosed
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