SCHEMBL14582583

SCHEMBL14582583

O=[N+]([O-])c1ccc(/N=N/c2c(SOOO)cc3cc(S(=O)(=O)O)cc(/N=N\c4c(O)ccc(/N=N/c5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5OS(=O)O)c4O)c3c2O)c(O)c1

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ENPP2 Q13822 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
SCHEMBL14582580 0.84 PRMT1 (0.35) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14374500 0.84 ENPP2 (0.36) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13881007 0.81 CYP1A2 (0.35) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14613146 0.80 PRMT1 (0.46) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14580404 0.77 ENPP2 (0.42) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14580402 0.75 ENPP2 (0.39) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14582579 0.74 CYP1A2 (0.44) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14582584 0.74 CYP1A2 (0.44) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13881006 0.73 CYP1A2 (0.35) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14580401 0.73 ENPP2 (0.39) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9

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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