SCHEMBL14613146

SCHEMBL14613146

O=[N+]([O-])c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(/N=N\c4c(O)ccc(/N=N/c5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5S(=O)(=O)O)c4O)c3c2O)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 3/20 0.46
▸ ENPP2 Q13822 5/20 0.43
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ DNASE1L3 Q13609 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ THRB P10828 1/20 0.37

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
SCHEMBL13892284 0.91 PRMT1 (0.44) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14582579 0.90 CYP1A2 (0.44) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14582584 0.90 CYP1A2 (0.44) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14582588 0.86 CYP1A2 (0.43) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14613209 0.84 PRMT1 (0.51) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14582580 0.83 PRMT1 (0.35) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL13892268 0.82 CYP1A2 (0.37) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14582577 0.81 MEN1 (0.45) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14582576 0.81 MEN1 (0.45) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL11671091 0.81 CD40 (0.49) PRMT1ENPP2CYP1A2CYP2C9CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372161-B2 Method for the reactive coloring of leather BASF SE (DE) 2013-02-12 — — US disclosed
US-20070033746-A1 Method for the reactive coloring of leather BASF AKTIENGESSELLSCHAFT (DE) 2007-02-15 — — US disclosed
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