SCHEMBL13340935

SCHEMBL13340935

COc1ccc(S(=O)(=O)CCOSOOO)cc1/N=N/c1c(SOOO)cc2c(/N=N/c3cc(S(=O)(=O)CCOSOOO)ccc3OC)c(N)ccc2c1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PRMT1 Q99873 1/20 0.30
▸ PTPN1 P18031 2/20 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
SCHEMBL13340636 0.97 ENPP2 (0.35) ENPP2TDP1KDM4EMEN1NPC1
SCHEMBL13340577 0.97 ENPP2 (0.35) ENPP2TDP1KDM4EMEN1NPC1
SCHEMBL13341006 0.95 ENPP2 (0.40) ENPP2TDP1KDM4EMEN1NPC1
SCHEMBL13340642 0.95 ENPP2 (0.40) ENPP2TDP1KDM4EMEN1NPC1
SCHEMBL13341029 0.94 ENPP2 (0.39) ENPP2TDP1KDM4EMEN1NPC1
SCHEMBL12053274 0.94 ENPP2 (0.39) ENPP2TDP1KDM4EMEN1NPC1
SCHEMBL13340583 0.89 THRB (0.34) ENPP2TDP1KDM4EMEN1MAPT
SCHEMBL13599531 0.88 ENPP2 (0.37) ENPP2TDP1KDM4EMEN1MAPT
SCHEMBL13340993 0.88 PTPN1 (0.38) ENPP2MEN1MAPTKMT2APHLPP2
SCHEMBL13340928 0.88 TDP1 (0.37) ENPP2TDP1KDM4EMEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7708786-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-05-04 — — US disclosed
US-20090025152-A1 DYE MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND USE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-01-29 — — US disclosed
US-7455699-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-25 — — US disclosed
Send feedback