SCHEMBL17826596

SCHEMBL17826596

Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCN)cc2)cc1Br

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 16/20 0.78
SIRT1 Q96EB6 15/20 0.78
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.63
DUSP3 P51452 1/20 0.63
PTPN5 P54829 1/20 0.63
PTPN11 Q06124 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
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
SCHEMBL17826590 0.92 SIRT2 (0.66) SIRT2SIRT1POLBMAPTHTT
SCHEMBL17826579 0.90 SIRT2 (0.63) SIRT2SIRT1MAPTSIRT3
Hydrochloric Acid SCHEMBL1707443 0.87 SIRT2 (0.98) SIRT2SIRT1SIRT3
SCHEMBL17826584 0.84 MEN1 (0.65) SIRT2SIRT1RAB9ASMN1; SMN2SIRT3
SCHEMBL17826597 0.84 SIRT2 (0.73) SIRT2SIRT1SIRT3
SCHEMBL17826595 0.83 SIRT2 (0.76) SIRT2SIRT1POLBMAPTTDP1
SCHEMBL17826582 0.83 ALDH1A1 (0.64) SIRT2SIRT1POLBMAPTHTT
SCHEMBL16229387 0.82 SIRT2 (0.67) SIRT2SIRT1POLBMAPTHTT
SCHEMBL17826575 0.81 SIRT2 (0.75) SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL3718814 0.81 SIRT2 (0.62) SIRT2SIRT1POLBMAPTHTT

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