SCHEMBL14388767

SCHEMBL14388767

O=S(=O)(O)OCCS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3ccc(Nc4cc(F)nc(F)n4)cc3c2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.44
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ ENPP2 Q13822 11/20 0.41
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ PRMT1 Q99873 2/20 0.39
▸ PRMT3 O60678 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ PHLPP2 Q6ZVD8 2/20 0.38
▸ CARM1 Q86X55 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL14388919 0.95 ENPP2 (0.47) THRBCA2CA3ENPP2CD40
SCHEMBL14388755 0.86 THRB (0.54) THRBCA2CA3ENPP2CD40
SCHEMBL14388947 0.83 PRMT1 (0.53) THRBCA2CA3ENPP2CD40
SCHEMBL31519881 0.82 PRMT3 (0.58) THRBCA2CA3ENPP2CD40
SCHEMBL13880628 0.82 PRMT3 (0.58) THRBCA2CA3ENPP2CD40
SCHEMBL14529309 0.82 PRMT3 (0.58) THRBCA2CA3ENPP2CD40
SCHEMBL14388848 0.80 ENPP2 (0.39) THRBENPP2CD40CD40LGPHLPP2
SCHEMBL14388916 0.80 ENPP2 (0.39) THRBENPP2CD40CD40LGPHLPP2
SCHEMBL14546924 0.79 CD40 (0.34) THRBENPP2CD40CD40LG
SCHEMBL12053453 0.79 THRB (0.46) THRBENPP2CD40CD40LGPHLPP2

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-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 — — US disclosed
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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