SCHEMBL17384019

SCHEMBL17384019

C=CS(=O)(=O)CCCC(=O)Nc1cc(/N=N/c2c(Nc3ccccc3)ccc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)cc1/N=N/c1cc(OC)c(S(=O)(=O)C=C)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.44
▸ ENPP2 Q13822 8/20 0.43
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ L3MBTL1 Q9Y468 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
▸ CASP6 P55212 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ PTPN1 P18031 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ FUT8 Q9BYC5 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 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
SCHEMBL17384218 0.93 PRMT1 (0.47) PRMT1ENPP2MAPK1ALDH1A1L3MBTL1
SCHEMBL17384217 0.90 ENPP2 (0.46) PRMT1ENPP2MAPK1ALDH1A1PTPN1
SCHEMBL17384020 0.88 MEN1 (0.41) PRMT1ENPP2MEN1THRBKMT2A
SCHEMBL17384295 0.84 ENPP2 (0.41) PRMT1ENPP2MEN1THRBKMT2A
SCHEMBL17384207 0.79 PRMT1 (0.42) PRMT1ENPP2MAPK1ALDH1A1CASP6
SCHEMBL17384335 0.76 ENPP2 (0.42) PRMT1ENPP2MAPK1ALDH1A1CYP1A2
SCHEMBL17384336 0.76 ENPP2 (0.49) PRMT1ENPP2MAPK1ALDH1A1CYP1A2
SCHEMBL17384206 0.76 PRMT1 (0.36) PRMT1ENPP2MEN1THRBKMT2A
SCHEMBL17384296 0.74 THRB (0.41) ENPP2MEN1THRBKMT2AMAPK1
SCHEMBL17384205 0.73 ENPP2 (0.43) PRMT1ENPP2PTPN1CYP1A2

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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