SCHEMBL12704512

SCHEMBL12704512

Cc1c(C#N)c(NCC(C)O)nc(Nc2ccccc2)c1/N=N/c1ccc(S(=O)(=O)CCN(C)CCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ KMT2A Q03164 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL12704511 0.97 CCNA2 (0.37) CCNA2CDK2CCNA1KMT2AMAPT
SCHEMBL12704539 0.91 KMT2A (0.33) CCNA2CDK2CCNA1KMT2AMAPT
SCHEMBL12704537 0.90 CA1 (0.34) CCNA2CDK2CCNA1KMT2AMAPT
SCHEMBL12726000 0.89 GAA (0.32) MAPTGAAMAPK1
SCHEMBL12704536 0.88 CCNA2 (0.34) CCNA2CDK2CCNA1KMT2AMAPT
SCHEMBL12725999 0.87 GAA (0.32) MAPTGAAMAPK1
SCHEMBL12704538 0.87 CA1 (0.34) CCNA2CDK2CCNA1KMT2AMAPT
SCHEMBL14541233 0.85 CA1 (0.32) KMT2ACA1CA2CA13CA12
SCHEMBL12704484 0.83 KMT2A (0.40) CCNA2CDK2CCNA1KMT2AMAPT
SCHEMBL14541231 0.83 CA1 (0.32) CCNA2CDK2CCNA1KMT2ACA1

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 3 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
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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