SCHEMBL23028604

SCHEMBL23028604

N=C(N)NCCC(=O)NCCn1cnnn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LOX P28300 2/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
HMOX1 P09601 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL23028603 0.87 ALDH1A1 (0.42) TP53RAB9AALDH1A1MEN1KMT2A
SCHEMBL23028607 0.80 TP53 (0.38) TP53RAB9AALDH1A1MEN1KMT2A
SCHEMBL23028602 0.80 TP53 (0.38) TP53RAB9AALDH1A1MEN1KMT2A
SCHEMBL23028734 0.79 ALDH1A1 (0.48) TP53RAB9AALDH1A1MEN1KMT2A
SCHEMBL18362136 0.77 ALDH1A1 (0.50) TP53RAB9AALDH1A1MEN1KMT2A
SCHEMBL23028737 0.74 ALDH1A1 (0.46) TP53RAB9AALDH1A1MEN1KMT2A
SCHEMBL23028674 0.73 ITGB3 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2ITGB3
SCHEMBL18072327 0.72 ALDH1A1 (0.52) TP53RAB9AALDH1A1MEN1KMT2A
SCHEMBL18072243 0.72 ALDH1A1 (0.52) TP53RAB9AALDH1A1MEN1KMT2A
SCHEMBL23028606 0.71 ALDH1A1 (0.40) TP53RAB9AALDH1A1MEN1KMT2A

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
WO-2021034548-A1 MITOCHONDRIAL MODULATION TO IMPROVE METABOLIC SYNDROME DURING AGING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 WO disclosed