SCHEMBL23028673

SCHEMBL23028673

N=C(N)NCCOC(=O)CNC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
F10 P00742 2/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL28158274 0.90 MEN1 (0.36) MEN1KMT2ATDP1SMN1; SMN2GAA
SCHEMBL23028672 0.84 ADRA2A (0.33) MEN1KMT2AALOX15CYP1A2SMN1; SMN2
SCHEMBL23028685 0.84 ALOX15 (0.33) MEN1KMT2AALOX15CYP1A2SMN1; SMN2
SCHEMBL4110620 0.82 GAA (0.38) MEN1KMT2ATDP1SMN1; SMN2GAA
SCHEMBL23028690 0.81 ALOX15 (0.35) MEN1KMT2AALOX15CYP1A2SMN1; SMN2
SCHEMBL23028712 0.81 ALDH1A1 (0.33) MEN1KMT2AALOX15TDP1CYP1A2
SCHEMBL28195253 0.79 NAAA (0.44) MEN1KMT2ATDP1GAAPOLB
SCHEMBL17754024 0.79 ALDH1A1 (0.43)
SCHEMBL26033273 0.79 TSHR (0.46) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL27364282 0.79 GAA (0.33) SMN1; SMN2GAA

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