SCHEMBL14374486

SCHEMBL14374486

O=[N+]([O-])c1cc(/N=N/c2c(O)ccc(/N=N\c3cc(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5ccc(/N=N/c6ccc(S(=O)(=O)CCOSOOO)cc6)c6ccc(SOOO)cc56)c(O)c34)c2O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.32
▸ PTPN11 Q06124 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
SCHEMBL14374485 1.00 ENPP2 (0.32) ENPP2PTPN11
SCHEMBL14582575 0.94 ALDH1A1 (0.31) ENPP2
SCHEMBL14582573 0.94 ALDH1A1 (0.31) ENPP2
SCHEMBL14374500 0.86 ENPP2 (0.36) ENPP2
SCHEMBL14374483 0.81 ENPP2 (0.44) ENPP2PTPN11
SCHEMBL14582580 0.81 PRMT1 (0.35) ENPP2
SCHEMBL14580404 0.80 ENPP2 (0.42) ENPP2PTPN11
SCHEMBL14582571 0.79 ENPP2 (0.43) ENPP2PTPN11
SCHEMBL14723939 0.78 CYP2C9 (0.38) ENPP2PTPN11
SCHEMBL14582582 0.77 CYP1A2 (0.38) PTPN11

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-8382857-B2 Method for the reactive coloration of leather BASF SE (DE) 2013-02-26 — — US disclosed
US-20070234488-A1 Method for the Reactive Coloration of Leather BASF AKTIENGESELLSCHAFT (DE) 2007-10-11 — — US disclosed
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