SCHEMBL13599520

SCHEMBL13599520

O=C(Nc1cc(S(=O)(=O)O)cc2cc(SOO)c(/N=N/c3ccc4cc(S(=O)(=O)CCOSOOO)ccc4c3S(=O)(=O)O)c(O)c12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.45
▸ APEX1 P27695 1/20 0.40
▸ FUT8 Q9BYC5 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DNASE1L3 Q13609 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ PTPRA P18433 1/20 0.30
▸ PTPRB P23467 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ RAPGEF4 Q8WZA2 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 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
SCHEMBL14075513 0.97 ENPP2 (0.46) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL12172981 0.82 ENPP2 (0.59) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL9297251 0.82 ENPP2 (0.59) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL13880973 0.81 ENPP2 (0.46) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL14040223 0.80 ENPP2 (0.57) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL14269273 0.79 ENPP2 (0.43) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL13294439 0.77 ENPP2 (0.47) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL14489027 0.77 ENPP2 (0.55) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL13839142 0.77 ENPP2 (0.60) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL13839144 0.76 ENPP2 (0.43) ENPP2APEX1FUT8CYP1A2CYP2C9

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-7637964-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR TEXTILFARBEN GMBH & CO. (DE) 2009-12-29 — — US disclosed
US-20080274287-A1 Dye Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-06 — — US disclosed
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