SCHEMBL17826575

SCHEMBL17826575

NCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 16/20 0.75
SIRT1 Q96EB6 16/20 0.75
SIRT3 Q9NTG7 1/20 0.51

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
SCHEMBL16229454 0.89 SIRT2 (0.78) SIRT2SIRT1
SCHEMBL17826587 0.87 ALDH1A1 (0.60) SIRT2SIRT1SIRT3
SCHEMBL17826580 0.85 SMN1; SMN2 (0.59) SIRT2SIRT1
Hydrochloric Acid SCHEMBL1708340 0.85 SIRT2 (1.00) SIRT2SIRT1SIRT3
SCHEMBL17826579 0.84 SIRT2 (0.63) SIRT2SIRT1SIRT3
SCHEMBL17826584 0.82 MEN1 (0.65) SIRT2SIRT1SIRT3
SCHEMBL17826597 0.82 SIRT2 (0.73) SIRT2SIRT1SIRT3
SCHEMBL17826576 0.82 POLB (0.64) SIRT2SIRT1SIRT3
SCHEMBL17826598 0.82 SIRT2 (0.77) SIRT2SIRT1SIRT3
SCHEMBL17826596 0.81 SIRT2 (0.78) SIRT2SIRT1SIRT3

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-9365508-B2 Aroyl thiourea derivatives UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2016-06-14 US disclosed