SCHEMBL16572500

SCHEMBL16572500

C=C(N)NCCC[C@@H]1NC(=O)[C@@](C)(NC(=O)C(C)C)CCCCCNC(=O)[C@H](CC)NC1=O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ RBBP5 Q15291 5/20 0.65
▸ DPY30 Q9C005 5/20 0.65
▸ ASH2L Q9UBL3 5/20 0.65
▸ SIRT2 Q8IXJ6 6/20 0.37
▸ SIRT1 Q96EB6 6/20 0.37
▸ SIRT3 Q9NTG7 6/20 0.37
▸ GRB2 P62993 7/20 0.34
▸ MLNR O43193 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.33

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
SCHEMBL16572497 1.00 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572501 1.00 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572496 1.00 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572494 1.00 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572498 1.00 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572502 1.00 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL15004660 0.92 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL15004662 0.92 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL15004655 0.92 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL15005648 0.92 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L

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-8980838-B2 Cyclized peptidomimetic small molecule inhibitors of the WDR5 and MLL1 interaction THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-17 — — US disclosed
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