SCHEMBL12053161

SCHEMBL12053161

CC(=O)Nc1cc(/N=N/c2cc(/N=N/c3ccc(S(=O)(=O)CCOSOOO)cc3S(=O)(=O)O)c(N)cc2N)c(S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)CCOSOOO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.47
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ AMY1A P0DUB6 2/20 0.35
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ P2RX5 Q93086 2/20 0.30
▸ P2RX4 Q99571 2/20 0.30
▸ P2RX2 Q9UBL9 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ P2RY1 P47900 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL12053167 0.96 ENPP2 (0.45) ENPP2CA2CA3AMY1APHLPP2
SCHEMBL12053216 0.96 ENPP2 (0.45) ENPP2CA2CA3AMY1APHLPP2
SCHEMBL12053262 0.93 ENPP2 (0.46) ENPP2CA2CA3AMY1AMAPT
SCHEMBL12053238 0.92 ENPP2 (0.44) ENPP2CA2CA3AMY1APHLPP2
SCHEMBL12053021 0.90 ENPP2 (0.46) ENPP2CA2CA3AMY1APHLPP2
SCHEMBL12053138 0.90 PHLPP2 (0.39) ENPP2PHLPP2MAPTTHRBP2RX5
SCHEMBL12053397 0.89 ENPP2 (0.44) ENPP2CA2CA3AMY1APHLPP2
SCHEMBL12053169 0.88 ENPP2 (0.35) ENPP2CA2CA3PHLPP2MAPT
SCHEMBL12053165 0.88 ENPP2 (0.35) ENPP2CA2CA3PHLPP2MAPT
SCHEMBL14547005 0.88 ENPP2 (0.51) ENPP2CA2CA3AMY1APHLPP2

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