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SCHEMBL17384295

SCHEMBL17384295

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(OC)cc1/N=N/c1cc(S(=O)(=O)O)c(/N=N/c2c(Nc3ccccc3)ccc3cc(S(=O)(=O)O)cc(O)c23)cc1NC(=O)CCCS(=O)(=O)CCCl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PRMT1 Q99873 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL17384206 0.93 PRMT1 (0.36) ENPP2MEN1THRBKMT2APRMT1
SCHEMBL17384205 0.90 ENPP2 (0.43) ENPP2PRMT1
SCHEMBL17384296 0.89 THRB (0.41) ENPP2MEN1THRBKMT2AALDH1A1
SCHEMBL17384019 0.84 PRMT1 (0.44) ENPP2MEN1THRBKMT2APRMT1
SCHEMBL17384045 0.82 ENPP2 (0.36) ENPP2MEN1THRBKMT2APRMT1
SCHEMBL17384208 0.82 ENPP2 (0.39) ENPP2MEN1THRBKMT2APRMT1
SCHEMBL17384272 0.79 ENPP2 (0.41) ENPP2MEN1THRBKMT2APRMT1
SCHEMBL17384271 0.79 ENPP2 (0.46) ENPP2THRBPRMT1
SCHEMBL17384274 0.78 ENPP2 (0.39) ENPP2MEN1THRBKMT2APRMT1
SCHEMBL17384231 0.78 ENPP2 (0.49) ENPP2PRMT1ALDH1A1MAPK1

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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