SCHEMBL12052540

SCHEMBL12052540

COc1ccc(S(=O)(=O)CCOSOOO)cc1/N=N/c1cc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2SOOO)c(N)cc1N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL14159577 0.87 PHLPP2 (0.32) —
SCHEMBL12053140 0.86 KDM4E (0.36) KDM4EMEN1NPC1MAPTHTT
SCHEMBL13340930 0.84 KDM4E (0.35) KDM4EMEN1NPC1MAPTHTT
SCHEMBL12052544 0.84 THRB (0.37) —
SCHEMBL13793161 0.82 ALDH1A1 (0.34) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL12052948 0.82 PRMT1 (0.37) KDM4EMEN1NPC1MAPTHTT
SCHEMBL12053197 0.81 KDM4E (0.38) KDM4EMEN1NPC1MAPTHTT
SCHEMBL12052525 0.81 P2RX5 (0.32) KDM4EMAPTRAB9ATDP1
SCHEMBL12052537 0.81 PTGS1 (0.35) MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL12052550 0.80 THRB (0.36) —

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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