SCHEMBL14013131

SCHEMBL14013131

Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(Nc2nc(F)nc(N(CCSCCO)c3ccccc3)n2)cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.41
▸ FUT8 Q9BYC5 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ PRMT1 Q99873 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ DNASE1L3 Q13609 1/20 0.35
▸ HTT P42858 1/20 0.32
▸ CHAT P28329 2/20 0.31
▸ 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
▸ ALDH1A1 P00352 1/20 0.31
▸ PHLPP2 Q6ZVD8 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
SCHEMBL14038377 0.93 FUT8 (0.46) ENPP2FUT8CYP1A2MEN1KMT2A
SCHEMBL14013123 0.90 ENPP2 (0.43) ENPP2FUT8CYP1A2MEN1KMT2A
SCHEMBL14013143 0.85 FUT8 (0.39) ENPP2FUT8CYP1A2PRMT1CHAT
SCHEMBL14038441 0.83 CA1 (0.45) ENPP2FUT8CYP1A2MEN1KMT2A
SCHEMBL14013130 0.82 FUT8 (0.42) ENPP2FUT8CYP1A2MEN1KMT2A
SCHEMBL14038346 0.80 FUT8 (0.49) ENPP2FUT8CYP1A2MEN1KMT2A
SCHEMBL14038464 0.80 ENPP2 (0.40) ENPP2FUT8CYP1A2MEN1KMT2A
SCHEMBL16560654 0.78 FUT8 (0.53) ENPP2FUT8CYP1A2MEN1KMT2A
SCHEMBL16330349 0.78 ENPP2 (0.58) ENPP2FUT8CYP1A2MEN1KMT2A
SCHEMBL14038348 0.77 FUT8 (0.57) ENPP2FUT8CYP1A2MEN1KMT2A

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
US-20080280053-A1 Reactive Dyes Containing Divalent Sulfur in Non-Reactive Side Chain at Trizine Nucleus DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-13 — — US disclosed
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