SCHEMBL14547009

SCHEMBL14547009

Nc1cc(O)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)cc1/N=N/c1ccc2cc(S(=O)(=O)CCOS(=O)(=O)O)ccc2c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.36
▸ APEX1 P27695 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ SUMO2 P61956 2/20 0.35
▸ SUMO1 P63165 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP2 Q9HC62 2/20 0.35
▸ SENP3 Q9H4L4 1/20 0.35
▸ SENP1 Q9P0U3 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ P2RX5 Q93086 2/20 0.34
▸ P2RX4 Q99571 2/20 0.34
▸ P2RX2 Q9UBL9 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL14547028 0.94 ENPP2 (0.38) ENPP2APEX1THRBSUMO2SUMO1
SCHEMBL14547030 0.93 ALDH1A1 (0.36) ENPP2THRBCYP2C19P2RX5P2RX4
SCHEMBL14546748 0.91 TP53 (0.40) ENPP2APEX1THRBSUMO2SUMO1
SCHEMBL14547010 0.88 ENPP2 (0.38) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL12053202 0.87 MAPT (0.33) ENPP2APEX1THRBSUMO2SUMO1
SCHEMBL14546756 0.87 ENPP2 (0.45) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL14546994 0.86 BRD4 (0.37) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL14546741 0.86 THRB (0.45) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL14546910 0.86 BRD4 (0.37) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL14546970 0.84 PHLPP2 (0.37) ENPP2THRBSUMO2SUMO1SENP7

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
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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