SCHEMBL17424360

SCHEMBL17424360

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.44
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
KISS1R Q969F8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
FURIN P09958 7/20 0.36
GNPAT O15228 1/20 0.36
NPY5R Q15761 3/20 0.34
NPY1R P25929 2/20 0.34
NPY4R P50391 2/20 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
SCHEMBL17424361 0.89 SIRT5 (0.45) SIRT5SIRT6SIRT1KISS1RSIRT2
SCHEMBL17424367 0.89 SIRT5 (0.45) SIRT5SIRT6SIRT1KISS1RSIRT2
SCHEMBL17424369 0.89 SIRT5 (0.44) SIRT5SIRT6SIRT1KISS1RSIRT2
SCHEMBL17424366 0.88 KISS1R (0.47) SIRT5SIRT6SIRT1KISS1RNPY5R
SCHEMBL17424390 0.88 SIRT5 (0.44) SIRT5SIRT6SIRT1KISS1RSIRT2
SCHEMBL12035276 0.88 SIRT5 (0.44) SIRT5SIRT6SIRT1KISS1RNPY5R
SCHEMBL17424365 0.86 SIRT5 (0.44) SIRT5SIRT6SIRT1KISS1RSIRT2
SCHEMBL17424379 0.85 SIRT5 (0.42) SIRT5SIRT6SIRT1SIRT2FURIN
SCHEMBL17424409 0.83 NPY4R (0.40) SIRT5SIRT2FURINNPY5RNPY1R
SCHEMBL17424364 0.82 SIRT5 (0.40) SIRT5SIRT6SIRT1KISS1RSIRT2

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