SCHEMBL8302182

SCHEMBL8302182

Cc1ccsc1C#CCBr

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
FFAR1 O14842 1/20 0.42
GSK3B P49841 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3346978 0.80 FFAR1 (0.45) CYP2A6FFAR1GSK3BNPC1PKM
SCHEMBL3083950 0.69
SCHEMBL3346930 0.67
SCHEMBL3023589 0.63
SCHEMBL8307761 0.63 TSHR (0.46) CYP2A6FFAR1
SCHEMBL1066892 0.61 KCNH2 (0.53) CYP2A6FFAR1GSK3BNPC1L3MBTL1
SCHEMBL18677595 0.61 CYP2A6 (0.55) CYP2A6FFAR1
SCHEMBL3607010 0.61 CYP2A6 (1.00) CYP2A6
SCHEMBL27989208 0.60
SCHEMBL256017 0.60

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-0749430-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PROD (US) 1999-08-25 EP disclosed
US-5574051-A HYPOGLYCEMIC AMERICAN HOME PRODUCTS CORPORATION (US) 1996-11-12 US disclosed
WO-1995024400-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-14 WO disclosed