SCHEMBL12053152

SCHEMBL12053152

Nc1cc(N)c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)cc1/N=N/c1ccccc1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP2 Q9HC62 5/20 0.32
▸ SENP1 Q9P0U3 5/20 0.32
▸ SENP3 Q9H4L4 4/20 0.32
▸ SUMO2 P61956 4/20 0.32
▸ SUMO1 P63165 4/20 0.32
▸ SENP7 Q9BQF6 4/20 0.32
▸ P2RX5 Q93086 2/20 0.32
▸ P2RX4 Q99571 2/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ P2RY1 P47900 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CASP7 P55210 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
SCHEMBL12053137 0.95 P2RX5 (0.34) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL12053200 0.95 BRD4 (0.33) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL12053204 0.95 BRD4 (0.33) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL12052525 0.91 P2RX5 (0.32) P2RX5P2RX4P2RX2PHLPP2ENPP1
SCHEMBL13340696 0.91 P2RX5 (0.33) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL12053254 0.91 ENPP1 (0.33) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL12053138 0.91 PHLPP2 (0.39) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL12053232 0.90 ALDH1A1 (0.34) P2RX5P2RX4P2RX2CYP1A2ENPP1
SCHEMBL12053192 0.90 BRD4 (0.36) P2RX5P2RX4P2RX2PHLPP2ENPP1
SCHEMBL12052817 0.88 ENPP2 (0.34) SENP2SENP1SENP3SUMO2SUMO1

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-8080101-B2 Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-20 — — US disclosed
US-20080295732-A1 Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) 2008-12-04 — — US disclosed
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