SCHEMBL14582571

SCHEMBL14582571

Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)CCOSOOO)cc4S(=O)(=O)O)c4ccc(SOOO)cc34)c(O)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.43
▸ THRB P10828 1/20 0.41
▸ PTPN11 Q06124 1/20 0.33
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PRMT1 Q99873 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
SCHEMBL14374483 0.97 ENPP2 (0.44) ENPP2THRBPTPN11CD40CD40LG
SCHEMBL14582564 0.86 ENPP2 (0.42) ENPP2THRBCD40CD40LG
SCHEMBL14582563 0.86 ENPP2 (0.42) ENPP2THRBCD40CD40LG
SCHEMBL12053435 0.86 THRB (0.51) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL13880769 0.84 THRB (0.43) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL14582570 0.83 ENPP2 (0.42) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL14582565 0.83 ENPP2 (0.42) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL14582566 0.83 ENPP2 (0.42) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL14374476 0.83 ENPP2 (0.43) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL13881010 0.82 THRB (0.44) ENPP2THRBCYP1A2CYP2C9PRMT1

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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