SCHEMBL28159356

SCHEMBL28159356

OCc1ccc2sc(Br)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
HSD17B10 Q99714 1/20 0.46
HDAC1 Q13547 3/20 0.37
CYP2A6 P11509 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
APP P05067 2/20 0.35
ILK Q13418 1/20 0.34

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
SCHEMBL31095615 0.85 HSD17B10 (0.42) CA2HSD17B10HDAC1CYP2A6CA12
SCHEMBL31095714 0.82 CA2 (0.37) CA2HDAC1CYP2A6
SCHEMBL28159411 0.74 DYRK1A (0.52) CA2
SCHEMBL2626934 0.73 TBXAS1 (0.57) CA2HSD17B10HDAC1CA12CA3
SCHEMBL31630242 0.72 HSD17B10 (0.67) CA2HSD17B10APPILK
SCHEMBL15897770 0.71 CYP2A6 (0.50) CYP2A6
Hydrochloric Acid SCHEMBL9432146 0.70 F9 (0.57) CA2
SCHEMBL10370254 0.70 CA2 (1.00) CA2CA12CA4CA6CA5A
SCHEMBL6823688 0.69 HSP90AA1 (0.39) CYP2A6
SCHEMBL29698853 0.69 HSP90AA1 (0.39) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680247-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF Insmed Incorporated (US) 2026-01-21 EP disclosed
WO-2024192416-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF INSMED INCORPORATED (US) 2024-09-19 WO disclosed
CN-107001281-A Substituted benzothiophene radical derivative is used as the GPR40 activators for treating type ii diabetes 詹森药业有限公司 2017-08-01 CN disclosed