SCHEMBL2648728

SCHEMBL2648728

Cc1ccc(SCc2c(C(C)C)nc(C(C)C)c(CCO)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.56
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 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
SCHEMBL2648862 0.94 GCGR (0.57) GCGR
SCHEMBL2649325 0.91 GCGR (0.61) GCGRMEN1KMT2APOLBMAPT
SCHEMBL2647365 0.90 GCGR (0.55) GCGR
SCHEMBL2647620 0.89 GCGR (0.57) GCGR
SCHEMBL2647464 0.89 GCGR (0.57) GCGR
SCHEMBL2647687 0.89 GCGR (0.54) GCGRMAPT
SCHEMBL2647055 0.85 GCGR (0.63) GCGR
SCHEMBL2650664 0.84 GCGR (0.49) GCGRMEN1KMT2APOLBMAPT
SCHEMBL2647763 0.81 GCGR (0.56) GCGRMAPTNPC1RAB9A
SCHEMBL2650686 0.81 GCGR (0.62) 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 2 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