SCHEMBL17384020

SCHEMBL17384020

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/c1ccc(S(=O)(=O)C=C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ENPP2 Q13822 7/20 0.40
▸ PRMT1 Q99873 2/20 0.39
▸ SUMO2 P61956 1/20 0.35
▸ SUMO1 P63165 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP2 Q9HC62 1/20 0.35
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ FUT8 Q9BYC5 1/20 0.34
▸ NSD2 O96028 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 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
SCHEMBL17384207 0.90 PRMT1 (0.42) ENPP2PRMT1SUMO2SUMO1SENP7
SCHEMBL17384336 0.89 ENPP2 (0.49) ENPP2PRMT1SUMO2SUMO1SENP7
SCHEMBL17384335 0.89 ENPP2 (0.42) ENPP2PRMT1SUMO2SUMO1SENP7
SCHEMBL17384019 0.88 PRMT1 (0.44) MEN1THRBKMT2AENPP2PRMT1
SCHEMBL17384296 0.82 THRB (0.41) MEN1THRBKMT2AENPP2SUMO2
SCHEMBL17384218 0.79 PRMT1 (0.47) ENPP2PRMT1CYP1A2MAPK1ALDH1A1
SCHEMBL17384217 0.76 ENPP2 (0.46) ENPP2PRMT1SUMO2SUMO1SENP7
SCHEMBL17384295 0.74 ENPP2 (0.41) MEN1THRBKMT2AENPP2PRMT1
SCHEMBL17384045 0.73 ENPP2 (0.36) MEN1THRBKMT2AENPP2PRMT1
SCHEMBL17384208 0.73 ENPP2 (0.39) MEN1THRBKMT2AENPP2PRMT1

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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