SCHEMBL14415403

SCHEMBL14415403

N=C(NCl)NCCCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)NCl)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.50
SIRT1 Q96EB6 12/20 0.50
SIRT5 Q9NXA8 5/20 0.50
SIRT3 Q9NTG7 3/20 0.48
TGM2 P21980 1/20 0.47

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
SCHEMBL14310727 1.00 SIRT2 (0.50) SIRT2SIRT1SIRT5SIRT3TGM2
SCHEMBL236067 0.91 SIRT5 (0.51) SIRT2SIRT1SIRT5SIRT3TGM2
SCHEMBL14264834 0.91 SIRT5 (0.51) SIRT2SIRT1SIRT5SIRT3TGM2
SCHEMBL14286269 0.91 SIRT5 (0.51) SIRT2SIRT1SIRT5SIRT3TGM2
Hydrochloric Acid SCHEMBL3503087 0.90 SIRT5 (0.51) SIRT2SIRT1SIRT5SIRT3TGM2
SCHEMBL2268022 0.84 SIRT5 (0.57) SIRT2SIRT1SIRT5SIRT3TGM2
Hydrochloric Acid SCHEMBL10884941 0.84 SIRT5 (0.56) SIRT2SIRT1SIRT5SIRT3TGM2
Hydrochloric Acid SCHEMBL10943848 0.84 SIRT5 (0.56) SIRT2SIRT1SIRT5SIRT3TGM2
SCHEMBL1529286 0.84 SIRT2 (0.48) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17289476 0.83 SIRT5 (0.55) SIRT2SIRT1SIRT5SIRT3TGM2

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-7273610-B2 Endotheliase-2 ligands DYAX CORP. (US) 2007-09-25 US disclosed