Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL4492595

CS(=O)(=O)CS(=O)(=O)c1nc(NC2CC2)n2ncc(CCCCC#N)c2n1.c1ccccc1

nearest known ligand 0.36

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 6/20 0.36
▸ CSNK2A2 P19784 3/20 0.34

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
SCHEMBL4111581 0.87 CSNK2A1 (0.35) CSNK2A1CSNK2A2
SCHEMBL4492591 0.87 CSNK2A1 (0.34) CSNK2A1CSNK2A2
SCHEMBL4492593 0.84 CSNK2A1 (0.35) CSNK2A1CSNK2A2
SCHEMBL4119289 0.74 CSNK2A1 (0.34) CSNK2A1CSNK2A2
SCHEMBL4492597 0.73 POLB (0.33) CSNK2A2
SCHEMBL4114477 0.73 CSNK2A1 (0.54) CSNK2A1CSNK2A2
SCHEMBL19742642 0.68 CSNK2A1 (0.51) CSNK2A1CSNK2A2
SCHEMBL4114317 0.61 CSNK2A1 (0.60) CSNK2A1
SCHEMBL4111647 0.61 ATM (0.32) —
SCHEMBL4107784 0.60 TBXAS1 (0.31) —

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-7517882-B2 Protein kinase inhibitors POLARIS GROUP (CN) 2009-04-14 — — US disclosed