SCHEMBL31222852

SCHEMBL31222852

COCc1cc(Br)sc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 4/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 1/20 0.39
PPARG P37231 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
ATM Q13315 2/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL29122566 0.86 HSD17B10 (0.42) L3MBTL1POLBMAPTHSD17B10TSHR
SCHEMBL2729001 0.85 GSK3B (0.43) L3MBTL1POLBMAPTHSD17B10TSHR
SCHEMBL31222900 0.85 POLB (0.41) L3MBTL1POLBMAPTKMT2AGSK3B
SCHEMBL8570554 0.80 L3MBTL1 (0.52) L3MBTL1POLBMAPTHSD17B10TSHR
Hydrochloric Acid SCHEMBL8570552 0.79 L3MBTL1 (0.51) L3MBTL1POLBMAPTHSD17B10TSHR
SCHEMBL319034 0.77 GSK3B (0.53) L3MBTL1MAPTHSD17B10TSHRKMT2A
SCHEMBL1971697 0.75 MAPT (0.44) MAPTHSD17B10TSHRKMT2AGSK3B
SCHEMBL2730725 0.75 MAPT (0.44) MAPTHSD17B10TSHRKMT2AGSK3B
SCHEMBL1374020 0.75 TSHR (0.44) L3MBTL1POLBMAPTHSD17B10TSHR
SCHEMBL612156 0.74 MAPT (0.42) L3MBTL1POLBMAPTHSD17B10TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676476-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION Aquinnah Pharmaceuticals, Inc. (US) 2026-01-14 EP disclosed
WO-2024187126-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION AQUINNAH PHARMACEUTICALS, INC. (US) 2024-09-12 WO disclosed