SCHEMBL30208564

SCHEMBL30208564

N=C(N)NCCC=CC=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL4318601 0.78
SCHEMBL9772150 0.75 ALOX15 (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772151 0.75 ALOX15 (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL459077 0.74 MEN1 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9300530 0.74
SCHEMBL23543287 0.74
SCHEMBL459078 0.74 MEN1 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9300534 0.74
SCHEMBL7059901 0.73
SCHEMBL7551580 0.72 MEN1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001982-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-01-26 WO claimed
WO-2023001982-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-01-26 WO disclosed