SCHEMBL13629302

SCHEMBL13629302

CNc1ccc2cc(S(=O)(=O)O)c(N=Nc3cc(C)c(N=Nc4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)cc3OC)c(O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.54
▸ PHLPP2 Q6ZVD8 2/20 0.46
▸ PTPN1 P18031 2/20 0.42
▸ MPL P40238 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HIF1A Q16665 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
SCHEMBL10392594 0.89 ENPP2 (0.47) ENPP2PHLPP2MPLMEN1THRB
SCHEMBL13615204 0.89 ENPP2 (0.44) ENPP2PHLPP2PTPN1MPLMEN1
SCHEMBL14645033 0.85 PHLPP2 (0.64) ENPP2PHLPP2PTPN1MEN1THRB
SCHEMBL14647838 0.85 ENPP2 (0.58) ENPP2PHLPP2PTPN1CD40CD40LG
SCHEMBL8124363 0.84 CD40 (0.51) ENPP2PHLPP2MPLMEN1THRB
SCHEMBL8124361 0.84 CD40 (0.51) ENPP2PHLPP2MPLMEN1THRB
SCHEMBL17284068 0.80 ENPP2 (0.56) ENPP2PHLPP2PTPN1MEN1THRB
SCHEMBL11315827 0.79 CD40 (0.45) ENPP2PHLPP2MPLMEN1THRB
SCHEMBL10625284 0.79 ENPP2 (0.76) ENPP2PHLPP2PTPN1MEN1THRB
SCHEMBL10625271 0.79 ENPP2 (0.73) ENPP2PHLPP2PTPN1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275742-A1 COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2009-11-05 — — US disclosed
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