SCHEMBL24893097

SCHEMBL24893097

O=C(/C=C\c1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
LMNA P02545 3/20 0.69
USP2 O75604 1/20 0.64
GAA P10253 1/20 0.64
KEAP1 Q14145 1/20 0.64
NFE2L2 Q16236 1/20 0.64
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 2/20 0.59
GPR183 P32249 4/20 0.59
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 1/20 0.56
ME2 P23368 1/20 0.55
ME1 P48163 1/20 0.55
ME3 Q16798 1/20 0.55

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
SCHEMBL10721826 0.84 MEN1 (1.00) MEN1KMT2ALMNAUSP2GAA
SCHEMBL4456981 0.82 KMT2A (0.89) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL16599447 0.82 KMT2A (0.89) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL16599448 0.82 KMT2A (0.89) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL16333072 0.78 KMT2A (0.81) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL29516320 0.78 MEN1 (0.86) MEN1KMT2ALMNAUSP2GAA
SCHEMBL16333074 0.78 KMT2A (0.81) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL5072941 0.77 MEN1 (0.78) MEN1KMT2ALMNAUSP2GAA
SCHEMBL14578666 0.77 L3MBTL1 (0.89) MEN1KMT2ALMNAUSP2GAA
SCHEMBL6390973 0.77 MEN1 (0.84) MEN1KMT2ALMNAUSP2GAA

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-2023287740-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed