SCHEMBL23028690

SCHEMBL23028690

N=C(N)NCCOC(=O)CN=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
F10 P00742 2/20 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
SCHEMBL23028711 0.84 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23028672 0.81 ADRA2A (0.33) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23028685 0.81 ALOX15 (0.33) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23028673 0.81 MEN1 (0.33) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23028712 0.78 ALDH1A1 (0.33) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL26033273 0.76 TSHR (0.46) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL17754024 0.76 ALDH1A1 (0.43)
SCHEMBL6411344 0.75 MEN1 (0.41) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL17753849 0.73 MTNR1A (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23028699 0.73 TSHR (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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