SCHEMBL17424367

SCHEMBL17424367

C=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
TLR2 O60603 1/20 0.38
KISS1R Q969F8 2/20 0.38
FURIN P09958 6/20 0.37
GNPAT O15228 1/20 0.36
QRFPR Q96P65 1/20 0.35

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
SCHEMBL17424361 0.90 SIRT5 (0.45) SIRT5SIRT2SIRT6SIRT1KISS1R
SCHEMBL17424369 0.90 SIRT5 (0.44) SIRT5SIRT2SIRT6SIRT1KISS1R
SCHEMBL17424360 0.89 SIRT5 (0.44) SIRT5SIRT2SIRT6SIRT1KISS1R
SCHEMBL17424366 0.89 KISS1R (0.47) SIRT5SIRT6SIRT1KISS1R
SCHEMBL12035284 0.88 SIRT5 (0.45) SIRT5SIRT2SIRT6SIRT1NMT2
SCHEMBL17424392 0.88 SIRT5 (0.47) SIRT5SIRT2SIRT6SIRT1NMT2
SCHEMBL16234720 0.88 SIRT5 (0.58) SIRT5SIRT2SIRT6SIRT1NMT2
SCHEMBL17424365 0.87 SIRT5 (0.44) SIRT5SIRT2SIRT6SIRT1KISS1R
SCHEMBL17424379 0.86 SIRT5 (0.42) SIRT5SIRT2SIRT6SIRT1FURIN
SCHEMBL17424409 0.84 NPY4R (0.40) SIRT5SIRT2NMT2NMT1FURIN

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-9233086-B2 Inhibition of WDR5 interaction with its binding partners THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-01-12 US disclosed