SCHEMBL24263243

SCHEMBL24263243

O=C(NC1CCc2n[nH]c(=O)cc2C1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
JAK1 P23458 4/20 0.43
JAK2 O60674 3/20 0.43
TYK2 P29597 3/20 0.43
JAK3 P52333 3/20 0.43
KDM5A P29375 4/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPT P10636 1/20 0.37
CCR2 P41597 1/20 0.36
TSHR P16473 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
SCHEMBL24263240 0.94 GAA (0.43) GAAJAK1JAK2TYK2JAK3
SCHEMBL24263104 0.82 MTNR1A (0.50) GAACA12CA1CA2CA7
SCHEMBL24263107 0.79 MTNR1A (0.53) GAACA12CA1CA2CA7
SCHEMBL24263216 0.79 MTNR1A (0.44) GAACA1CA2KDM5AMTNR1A
SCHEMBL24263236 0.79 GAA (0.41) GAACA1CA2KDM5ALMNA
SCHEMBL24263227 0.79 HDAC8 (0.42) GAAALDH1A1TSHRTP53
SCHEMBL24263080 0.77 MTNR1A (0.55) GAACA12CA1CA2CA7
SCHEMBL24263127 0.77 MTNR1A (0.46) GAAKDM5AMTNR1AMTNR1B
SCHEMBL24263245 0.76 ALDH1A1 (0.42) GAACA12CA1CA2CA7
SCHEMBL24263321 0.74 GAA (0.46) GAA

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