SCHEMBL10351166

SCHEMBL10351166

CC(=O)Nc1cc([NH])ccc1/N=N/c1cc(C)c(/N=N/c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.47
▸ CASP6 P55212 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ P2RX3 P56373 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ P2RX2 Q9UBL9 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ SUMO2 P61956 1/20 0.35
▸ SUMO1 P63165 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL10351169 1.00 ENPP2 (0.47) ENPP2CASP6MAPTNPC1HTT
SCHEMBL10351007 0.91 ENPP2 (0.41) ENPP2MAPTHTTP2RX3ALDH1A1
SCHEMBL10351010 0.91 ENPP2 (0.41) ENPP2MAPTHTTP2RX3ALDH1A1
SCHEMBL9626814 0.87 ENPP2 (0.56) ENPP2CASP6MAPTNPC1HTT
SCHEMBL11750629 0.80 ENPP2 (0.52) ENPP2CASP6MAPTNPC1P2RX3
SCHEMBL9626740 0.79 ENPP2 (0.47) ENPP2CASP6MAPTNPC1HTT
SCHEMBL9626874 0.79 ENPP2 (0.47) ENPP2CASP6MAPTNPC1HTT
SCHEMBL9809307 0.78 ENPP2 (0.41) ENPP2MAPTHTTP2RX3ALDH1A1
SCHEMBL9809298 0.78 ENPP2 (0.41) ENPP2MAPTHTTP2RX3ALDH1A1
SCHEMBL14533057 0.77 BRD4 (0.49) ENPP2MAPTHTTP2RX3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219232-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-29 — — EP disclosed
US-4772323-A IMPROVED STORAGE AND EJECTION STABILITY CANON KABUSHIKI KAISHA (JP) 1988-09-20 — — US disclosed
US-4758658-A Water-soluble formazan dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-19 — — US disclosed
EP-0219232-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-22 — — EP disclosed
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