SCHEMBL12053140

SCHEMBL12053140

COc1ccc(S(=O)(=O)CCOSOOO)cc1/N=N/c1cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)c(N)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ ENPP2 Q13822 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ BRCA1 P38398 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
SCHEMBL12053197 0.95 KDM4E (0.38) KDM4EMAPTTDP1MEN1KMT2A
SCHEMBL13340930 0.93 KDM4E (0.35) KDM4EMAPTTDP1MEN1KMT2A
SCHEMBL12053137 0.92 P2RX5 (0.34) KDM4EMAPTTDP1RAB9AENPP2
SCHEMBL12053247 0.91 MAPT (0.39) KDM4EMAPTTDP1MEN1KMT2A
SCHEMBL12053223 0.90 KDM4E (0.41) KDM4EMAPTTDP1MEN1KMT2A
SCHEMBL12052948 0.88 PRMT1 (0.37) KDM4EMAPTTDP1MEN1KMT2A
SCHEMBL12052525 0.88 P2RX5 (0.32) KDM4EMAPTTDP1RAB9AENPP2
SCHEMBL13340696 0.88 P2RX5 (0.33) KDM4EMAPTTDP1RAB9AENPP2
SCHEMBL12053152 0.87 SENP2 (0.32) KDM4EMAPTTDP1RAB9AALDH1A1
SCHEMBL12053138 0.87 PHLPP2 (0.39) MAPTTDP1MEN1KMT2AENPP2

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
Send feedback