SCHEMBL2647686

SCHEMBL2647686

Cc1ccc(SCc2c(C(C)C)nc(C(C)C)c(C(C)O)c2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.48
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2648576 0.94 GCGR (0.54) GCGRMAPTTSHRMAPK1TDP1
SCHEMBL2647216 0.90 GCGR (0.61) GCGR
SCHEMBL2647618 0.89 GCGR (0.64) GCGR
SCHEMBL2650664 0.89 GCGR (0.49) GCGRMAPTLMNATDP1NPC1
SCHEMBL2647461 0.89 GCGR (0.64) GCGR
SCHEMBL2647889 0.86 GCGR (0.62) GCGRMAPTTSHRMAPK1LMNA
SCHEMBL2647761 0.85 GCGR (0.64) GCGRMAPTTSHRMAPK1NPC1
SCHEMBL2648582 0.85 GCGR (0.64) GCGR
SCHEMBL2647687 0.84 GCGR (0.54) GCGRMAPTTSHRMAPK1LMNA
SCHEMBL2649583 0.83 GCGR (0.68) GCGR

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-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP claimed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO claimed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed