SCHEMBL12726033

SCHEMBL12726033

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.34
▸ SYK P43405 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 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
SCHEMBL12726029 0.92 THRB (0.33) THRBSYKMEN1KMT2AALDH1A1
SCHEMBL13989649 0.90 THRB (0.32) THRBSYK
SCHEMBL12704485 0.86 KMT2A (0.40) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL12726661 0.81 KCNH3 (0.35) THRBMEN1KMT2ACDK2
SCHEMBL12726657 0.81 KCNH3 (0.35) THRBMEN1KMT2ACDK2
SCHEMBL13893726 0.81 SYK (0.31) SYKMEN1KMT2AALDH1A1MAPT
SCHEMBL12704484 0.78 KMT2A (0.40) SYKMEN1KMT2AALDH1A1MAPT
SCHEMBL12704486 0.77 KMT2A (0.38) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL12726659 0.76 KCNH3 (0.35) THRBMEN1KMT2ACDK2
SCHEMBL12726654 0.76 KCNH3 (0.35) THRBMEN1KMT2ACDK2

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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