SCHEMBL24580853

SCHEMBL24580853

CC1=C(C(=O)N2CCN(C(=O)C3CC3c3ccc4c(c3)OCO4)CC2)SNN1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
AR P10275 5/20 0.39
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL24564677 0.77 MEN1 (0.47) L3MBTL1MAPTALDH1A1TSHRAR
SCHEMBL24564543 0.77 MAPT (0.45) L3MBTL1MAPTALDH1A1ARHSD17B10
SCHEMBL24564736 0.75 LMNA (0.48) L3MBTL1MAPTALDH1A1TSHRAR
SCHEMBL24580988 0.75 ALDH1A1 (0.48) L3MBTL1MAPTALDH1A1TSHRHSD17B10
SCHEMBL24564746 0.75 POLB (0.48) L3MBTL1MAPTALDH1A1TSHRHSD17B10
SCHEMBL23957498 0.75 MAPT (0.48) L3MBTL1MAPTALDH1A1HRH3MEN1
SCHEMBL24564651 0.75 ALDH1A1 (0.64) MAPTALDH1A1TSHRHSD17B10KMT2A
SCHEMBL24564664 0.74 LMNA (0.50) L3MBTL1MAPTALDH1A1TSHRHRH3
SCHEMBL24564614 0.74 HTT (0.49) L3MBTL1MAPTALDH1A1TSHRAR
SCHEMBL24581224 0.72 MAPT (0.45) L3MBTL1MAPTALDH1A1HRH3LMNA

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