SCHEMBL12726029

SCHEMBL12726029

Cc1c(N)c(NCCO)nc(NCCO)c1/N=N/c1ccc(S(=O)(=O)CCN(C)CCO)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL12726033 0.92 THRB (0.34) THRBSYKCCNA2CDK2CCNA1
SCHEMBL12704484 0.86 KMT2A (0.40) SYKCCNA2CDK2CCNA1ALDH1A1
SCHEMBL13989649 0.86 THRB (0.32) THRBSYK
SCHEMBL12725999 0.82 GAA (0.32) MAPT
SCHEMBL12726000 0.82 GAA (0.32) MAPT
SCHEMBL12704485 0.78 KMT2A (0.40) CCNA2CDK2CCNA1ALDH1A1MEN1
SCHEMBL13893726 0.77 SYK (0.31) SYKALDH1A1MEN1MAPTKMT2A
SCHEMBL12726659 0.75 KCNH3 (0.35) THRBCDK2MEN1KMT2A
SCHEMBL12726654 0.75 KCNH3 (0.35) THRBCDK2MEN1KMT2A
SCHEMBL14029539 0.74 ENPP2 (0.42) ALDH1A1MEN1KMT2A

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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