SCHEMBL24580988

SCHEMBL24580988

Nc1cccc(C(=O)N2CCN(C(=O)C3CC3c3ccc4c(c3)OCO4)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 4/20 0.46
TSHR P16473 2/20 0.46
GFER P55789 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL24564746 0.85 POLB (0.48) ALDH1A1HSD17B10HPGDTSHRGFER
SCHEMBL24564651 0.79 ALDH1A1 (0.64) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL24564664 0.78 LMNA (0.50) ALDH1A1TSHRHRH3L3MBTL1MAPT
SCHEMBL23957498 0.77 MAPT (0.48) ALDH1A1HRH3L3MBTL1MAPTMEN1
SCHEMBL24564614 0.76 HTT (0.49) ALDH1A1HSD17B10HPGDTSHRHRH3
SCHEMBL24564563 0.76 CTNNB1 (0.47) HPGDTSHRCYP2C9CYP2C19HRH3
SCHEMBL24564736 0.76 LMNA (0.48) ALDH1A1HSD17B10TSHRL3MBTL1MAPT
SCHEMBL24564677 0.76 MEN1 (0.47) ALDH1A1HSD17B10TSHRL3MBTL1MAPT
SCHEMBL24580853 0.75 L3MBTL1 (0.43) ALDH1A1HSD17B10TSHRHRH3L3MBTL1
SCHEMBL24581224 0.74 MAPT (0.45) ALDH1A1HRH3L3MBTL1MAPT

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-2022140464-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed