SCHEMBL12726048

SCHEMBL12726048

COc1ccc(S(=O)(=O)CCN(CCO)CCO)cc1/N=N/c1c(Nc2ccccc2)nc(NCCOCCO)c(N)c1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 2/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ EDNRB P24530 1/20 0.30
▸ EDNRA P25101 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
SCHEMBL12726043 0.97 KCNH3 (0.35) KCNH3MEN1KMT2AMAPTKDM4E
SCHEMBL12726047 0.91 KCNH3 (0.33) KCNH3MEN1KMT2AENPP2
SCHEMBL12704499 0.90 KCNH3 (0.34) KCNH3MEN1KMT2AMAPTKDM4E
SCHEMBL12704501 0.89 CCNA2 (0.35) KCNH3MEN1KMT2AMAPTKDM4E
SCHEMBL12726057 0.88 ALK (0.32) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL13989668 0.88 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL12726044 0.88 KCNH3 (0.33) KCNH3MEN1KMT2AENPP2
SCHEMBL13989667 0.87 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL12726001 0.86 ALK (0.32) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL13989672 0.86 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
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