SCHEMBL14582575

SCHEMBL14582575

O=[N+]([O-])c1cc(/N=N/c2ccc(O)c(/N=N\c3cc(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5ccc(/N=N/c6ccc(S(=O)(=O)CCOSOOO)cc6S(=O)(=O)O)c6ccc(SOOO)cc56)c(O)c34)c2O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ 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
SCHEMBL14582573 1.00 ALDH1A1 (0.31) ALDH1A1MAPK1PRMT1CYP1A2CYP3A4
SCHEMBL14374486 0.94 ENPP2 (0.32) ENPP2
SCHEMBL14374485 0.94 ENPP2 (0.32) ENPP2
SCHEMBL14582580 0.87 PRMT1 (0.35) ALDH1A1MAPK1PRMT1CYP1A2CYP3A4
SCHEMBL14582582 0.84 CYP1A2 (0.38) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14582550 0.82 APEX1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL14582571 0.81 ENPP2 (0.43) PRMT1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14374500 0.81 ENPP2 (0.36) ALDH1A1PRMT1CYP1A2CYP3A4CYP2D6
SCHEMBL13892284 0.79 PRMT1 (0.44) ALDH1A1MAPK1PRMT1CYP1A2CYP3A4
SCHEMBL13880970 0.79 PRMT1 (0.45) ALDH1A1MAPK1PRMT1CYP1A2CYP2C9

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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