SCHEMBL12704547

SCHEMBL12704547

CCCN(CCO)CCS(=O)(=O)c1ccc(/N=N/c2c(Nc3ccccc3)nc(NCCOCCO)c(C#N)c2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 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
SCHEMBL12704546 0.97 CDK2 (0.35) KCNH3CDK2CCNA2CCNA1KMT2A
SCHEMBL12704551 0.96 KCNH3 (0.34) KCNH3CDK2CCNA2CCNA1KMT2A
SCHEMBL12704549 0.93 CDK2 (0.35) KCNH3CDK2CCNA2CCNA1KMT2A
SCHEMBL12704545 0.91 CCNA2 (0.33) KCNH3CDK2CCNA2CCNA1KMT2A
SCHEMBL12704548 0.90 KCNH3 (0.34) KCNH3CDK2CCNA2CCNA1KMT2A
SCHEMBL12726657 0.90 KCNH3 (0.35) KCNH3CDK2KMT2AMEN1CDK1
SCHEMBL12704556 0.90 KCNH3 (0.33) KCNH3CDK2CCNA2CCNA1KMT2A
SCHEMBL12704554 0.89 CCNA2 (0.32) KCNH3CDK2CCNA2CCNA1KMT2A
SCHEMBL12726661 0.89 KCNH3 (0.35) KCNH3CDK2KMT2AMEN1CDK1
SCHEMBL12704542 0.88 CCNA2 (0.34) KCNH3CDK2CCNA2CCNA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092621-A1 DYES WITH POLYESTER SIDE CHAIN FOR POLYMER-COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-04-21 — — US disclosed
US-20110092621-A1 DYES WITH POLYESTER SIDE CHAIN FOR POLYMER-COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-04-21 — — US disclosed
WO-2009040318-A2 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-04-02 — — WO disclosed
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
WO-2007039525-A1 DYES AND DYE MIXTURES FOR DYING POLYMERS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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