SCHEMBL12726653

SCHEMBL12726653

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 2/20 0.33
▸ CDK1 P06493 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL12726656 0.97 KCNH3 (0.33) KCNH3CDK1CDK2MEN1KMT2A
SCHEMBL12726659 0.94 KCNH3 (0.35) KCNH3CDK1CDK2MEN1KMT2A
SCHEMBL12726654 0.92 KCNH3 (0.35) KCNH3CDK1CDK2MEN1KMT2A
SCHEMBL12704553 0.90 CCNA2 (0.34) KCNH3CDK2MEN1KMT2A
SCHEMBL12704554 0.89 CCNA2 (0.32) KCNH3CDK2MEN1KMT2A
SCHEMBL13989674 0.88 KCNH3 (0.35) KCNH3CDK1CDK2MEN1KMT2A
SCHEMBL12726661 0.88 KCNH3 (0.35) KCNH3CDK1CDK2MEN1KMT2A
SCHEMBL13989676 0.85 KCNH3 (0.35) KCNH3CDK1CDK2MEN1KMT2A
SCHEMBL12726657 0.85 KCNH3 (0.35) KCNH3CDK1CDK2MEN1KMT2A
SCHEMBL12704550 0.84 CDK2 (0.35) KCNH3CDK1CDK2MEN1KMT2A

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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