SCHEMBL12704537

SCHEMBL12704537

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32

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
SCHEMBL12704538 0.97 CA1 (0.34) CA1CA2CA13KMT2ACA12
SCHEMBL14541233 0.94 CA1 (0.32) CA1CA2CA13KMT2ACA12
SCHEMBL14541231 0.91 CA1 (0.32) CA1CA2CA13KMT2ACA12
SCHEMBL12704512 0.90 CCNA2 (0.35) CA1CA2CA13KMT2ACA12
SCHEMBL12704545 0.89 CCNA2 (0.33) CA1CA2CA13KMT2AMEN1
SCHEMBL13989673 0.89 GAA (0.31) MAPT
SCHEMBL12704539 0.88 KMT2A (0.33) CA1CA2CA13KMT2ACA12
SCHEMBL12704511 0.87 CCNA2 (0.37) CA1CA2CA13KMT2ACA12
SCHEMBL12704542 0.86 CCNA2 (0.34) CA1CA2CA13KMT2ACA12
SCHEMBL12704536 0.85 CCNA2 (0.34) CA1CA2CA13KMT2ACA12

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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