SCHEMBL12053167

SCHEMBL12053167

CNc1cc(N)c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)cc1/N=N/c1cc(NC(C)=O)c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2)cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.45
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ AMY1A P0DUB6 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 1/20 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
SCHEMBL12053161 0.96 ENPP2 (0.47) ENPP2CA2CA3AMY1ANPC1
SCHEMBL12053169 0.93 ENPP2 (0.35) ENPP2CA2CA3MAPTPHLPP2
SCHEMBL12053165 0.93 ENPP2 (0.35) ENPP2CA2CA3MAPTPHLPP2
SCHEMBL12053216 0.93 ENPP2 (0.45) ENPP2CA2CA3AMY1ANPC1
SCHEMBL12053262 0.90 ENPP2 (0.46) ENPP2CA2CA3AMY1ANPC1
SCHEMBL12053162 0.89 P2RX5 (0.32) MAPT
SCHEMBL12053238 0.89 ENPP2 (0.44) ENPP2CA2CA3AMY1ANPC1
SCHEMBL14546917 0.89 ENPP2 (0.49) ENPP2CA2CA3AMY1ANPC1
SCHEMBL12053397 0.88 ENPP2 (0.44) ENPP2CA2CA3AMY1ANPC1
SCHEMBL12053021 0.87 ENPP2 (0.46) ENPP2CA2CA3AMY1ANPC1

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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