SCHEMBL14625588

SCHEMBL14625588

COCCCNc1nc(NCCS(=O)(=O)CCO)c(N)c(C)c1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.38
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ SENP2 Q9HC62 4/20 0.33
▸ SUMO2 P61956 3/20 0.33
▸ SUMO1 P63165 3/20 0.33
▸ SENP7 Q9BQF6 3/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX5 Q93086 1/20 0.32

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
SCHEMBL14625881 0.94 ENPP2 (0.38) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029362 0.93 ENPP2 (0.43) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029539 0.92 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029537 0.92 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14625878 0.91 ENPP2 (0.39) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029336 0.89 ENPP2 (0.37) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029605 0.88 ENPP2 (0.37) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14030071 0.87 ENPP2 (0.40) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029568 0.84 ENPP2 (0.43) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14004257 0.84 CD40 (0.37) ENPP2CD40CD40LGPHLPP2RPS6KA3

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-2007006594-A2 REACTIVE AZO DYES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-01-18 — — WO disclosed
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