SCHEMBL12726044

SCHEMBL12726044

COc1cc(S(=O)(=O)CCN(CCO)CCO)c(OC)cc1/N=N/c1c(NCCOCCO)nc(Nc2ccccc2)c(N)c1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 2/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL13989672 0.97 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL12726047 0.97 KCNH3 (0.33) KCNH3ENPP2MEN1KMT2A
SCHEMBL13989670 0.97 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL13989668 0.95 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL13989667 0.94 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL12726370 0.93 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL12726043 0.91 KCNH3 (0.35) KCNH3ENPP2MEN1KMT2A
SCHEMBL12726372 0.90 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL12704496 0.90 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL12704497 0.89 KCNH3 (0.32) KCNH3ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312352-A1 Dyes and Dye Mixtures for Dying Polymers, Method for the Production Thereof and Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-12-18 — — US disclosed
Send feedback