SCHEMBL14547010

SCHEMBL14547010

Nc1nc(N)c(/N=N/c2ccc3cc(S(=O)(=O)CCOS(=O)(=O)O)ccc3c2S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.38
▸ ENPP1 P22413 1/20 0.35
▸ SENP2 Q9HC62 4/20 0.34
▸ SUMO2 P61956 3/20 0.34
▸ SUMO1 P63165 3/20 0.34
▸ SENP7 Q9BQF6 3/20 0.34
▸ SENP3 Q9H4L4 3/20 0.34
▸ SENP1 Q9P0U3 3/20 0.34
▸ ALDH1A1 P00352 4/20 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
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASP7 P55210 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 0.91 ENPP2 (0.38) ENPP2ENPP1SENP2SUMO2SUMO1
SCHEMBL14546998 0.91 ENPP1 (0.37) ENPP2ENPP1SENP2SUMO2SUMO1
SCHEMBL14546756 0.90 ENPP2 (0.45) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL14547030 0.88 ALDH1A1 (0.36) ENPP2ENPP1ALDH1A1CYP2C19P2RX5
SCHEMBL14547009 0.88 ENPP2 (0.36) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL12053251 0.87 ENPP2 (0.34) ENPP2ENPP1SENP2SUMO2SUMO1
SCHEMBL14546914 0.86 THRB (0.44) ENPP2ENPP1SENP2SUMO2SUMO1
SCHEMBL14546980 0.86 ENPP1 (0.35) ENPP2ENPP1SENP2SUMO2SUMO1
SCHEMBL14547008 0.83 MAPT (0.43) ENPP2ENPP1ALDH1A1CYP2C19P2RX5
SCHEMBL12053016 0.81 ENPP2 (0.39) ENPP2ENPP1SENP2SUMO2SUMO1

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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