SCHEMBL12053100

SCHEMBL12053100

COc1ccc(S(=O)(=O)CCOSOOO)cc1/N=N/c1c(O)c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)c(O)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.40
▸ TDP1 Q9NUW8 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ENPP2 Q13822 3/20 0.34
▸ P2RX5 Q93086 2/20 0.34
▸ P2RX4 Q99571 2/20 0.34
▸ P2RX2 Q9UBL9 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ P2RX3 P56373 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
SCHEMBL12053096 0.92 P2RX5 (0.36) TDP1KDM4EMAPTRAB9AMEN1
SCHEMBL12052948 0.91 PRMT1 (0.37) PRMT1TDP1KDM4EMAPTRAB9A
SCHEMBL12053105 0.91 P2RX5 (0.34) PRMT1TDP1KDM4EMAPTRAB9A
SCHEMBL12053106 0.91 ALDH1A1 (0.38) TDP1KDM4EMAPTRAB9AMEN1
SCHEMBL14547034 0.90 PRMT1 (0.46) PRMT1TDP1KDM4EMAPTRAB9A
SCHEMBL12053113 0.89 PRMT1 (0.36) PRMT1TDP1KDM4EMAPTRAB9A
SCHEMBL12053109 0.89 P2RX2 (0.37) PRMT1TDP1KDM4EMAPTRAB9A
SCHEMBL12053099 0.89 THRB (0.40) TDP1KDM4EMAPTRAB9AMEN1
SCHEMBL12053102 0.88 CYP1A2 (0.34) TDP1KDM4EMAPTRAB9AMEN1
SCHEMBL12053223 0.88 KDM4E (0.41) PRMT1TDP1KDM4EMAPTRAB9A

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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