SCHEMBL12704553

SCHEMBL12704553

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ KCNH3 Q9ULD8 2/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL12704554 0.97 CCNA2 (0.32) CCNA2CDK2CCNA1KCNH3KMT2A
SCHEMBL12704550 0.95 CDK2 (0.35) CCNA2CDK2CCNA1KCNH3KMT2A
SCHEMBL12704548 0.92 KCNH3 (0.34) CCNA2CDK2CCNA1KCNH3KMT2A
SCHEMBL12726653 0.90 KCNH3 (0.33) CDK2KCNH3KMT2AMEN1
SCHEMBL12704546 0.89 CDK2 (0.35) CCNA2CDK2CCNA1KCNH3KMT2A
SCHEMBL12704549 0.89 CDK2 (0.35) CCNA2CDK2CCNA1KCNH3KMT2A
SCHEMBL12704555 0.89 CCNA2 (0.35) CCNA2CDK2CCNA1KCNH3KMT2A
SCHEMBL12726656 0.89 KCNH3 (0.33) CDK2KCNH3KMT2AMEN1
SCHEMBL12704542 0.88 CCNA2 (0.34) CCNA2CDK2CCNA1KCNH3KMT2A
SCHEMBL12704547 0.87 KCNH3 (0.34) CCNA2CDK2CCNA1KCNH3KMT2A

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 4 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
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