SCHEMBL24263240

SCHEMBL24263240

O=C(NC1CCc2n[nH]c(=O)cc2C1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 3/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM5A P29375 13/20 0.38
POLB P06746 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL24263243 0.94 GAA (0.43) GAAJAK2JAK1TYK2JAK3
SCHEMBL24263104 0.85 MTNR1A (0.50) GAAMTNR1AMTNR1BKDM5A
SCHEMBL24263107 0.85 MTNR1A (0.53) GAAMTNR1AMTNR1BKDM5A
SCHEMBL24263236 0.82 GAA (0.41) GAAMTNR1AMTNR1BKDM5A
SCHEMBL24263216 0.82 MTNR1A (0.44) GAAMTNR1AMTNR1BKDM5A
SCHEMBL24263127 0.80 MTNR1A (0.46) GAAMTNR1AMTNR1BKDM5A
SCHEMBL24263080 0.80 MTNR1A (0.55) GAAMTNR1AMTNR1BKDM5APOLB
SCHEMBL14886658 0.79 GAA (0.49) GAA
SCHEMBL24263131 0.78 HDAC8 (0.45) GAA
SCHEMBL24263134 0.78 SMYD3 (0.39) GAAMTNR1AMTNR1B

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-2022040508-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-02-24 WO disclosed