SCHEMBL14625465

SCHEMBL14625465

C=CS(=O)(=O)CCNc1nc(NCCS(=O)(=O)C=C)c(/N=N/c2ccc(S(=O)(=O)C=C)cc2S(=O)(=O)O)c(C)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.38
▸ ENPP1 P22413 1/20 0.36
▸ ENPP2 Q13822 3/20 0.35
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP3 Q9H4L4 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34
▸ SENP1 Q9P0U3 1/20 0.34
▸ P2RX5 Q93086 2/20 0.33
▸ P2RX4 Q99571 2/20 0.33
▸ P2RX2 Q9UBL9 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CASP7 P55210 1/20 0.33

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
SCHEMBL14029568 0.89 ENPP2 (0.43) ENPP1ENPP2SUMO2SUMO1SENP7
SCHEMBL14004632 0.87 PRMT1 (0.37) PRMT1ENPP1P2RX5P2RX4P2RX2
SCHEMBL14625878 0.83 ENPP2 (0.39) ENPP1ENPP2SUMO2SUMO1SENP7
SCHEMBL14029536 0.83 ENPP2 (0.39) ENPP1ENPP2SUMO2SUMO1SENP7
SCHEMBL14625467 0.82 FUT8 (0.40) PRMT1ENPP1P2RX2MAPTP2RX7
SCHEMBL14004613 0.82 PRMT1 (0.36) PRMT1ENPP1P2RX5P2RX4P2RX2
SCHEMBL14004615 0.82 PRMT1 (0.36) PRMT1ENPP1P2RX5P2RX4P2RX2
SCHEMBL14625637 0.81 PRMT1 (0.41) PRMT1ALDH1A1KDM4EMAPTTDP1
SCHEMBL14626121 0.79 KDM4E (0.35) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14626120 0.79 KDM4E (0.35) ALDH1A1KDM4EMAPTMEN1KMT2A

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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