SCHEMBL2648110

SCHEMBL2648110

CCOC(=O)c1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
THRB P10828 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
PAX8 Q06710 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38

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
SCHEMBL2648085 0.88 LDHA (0.37) LDHAMAPTLMNASMN1; SMN2NPC1
SCHEMBL2648932 0.84 GCGR (0.48) LDHAMAPTALDH1A1L3MBTL1
SCHEMBL2648108 0.81 MAPT (0.45) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL2650419 0.79 PPIA (0.41) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL2647789 0.78 GCGR (0.55) HTTALDH1A1L3MBTL1SLC10A2
SCHEMBL11010734 0.77 ALDH1A1 (0.60) LDHAMAPTLMNASMN1; SMN2NPC1
SCHEMBL2650489 0.74 GCGR (0.44) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL2650486 0.74 GCGR (0.44) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL2648908 0.73 MAPT (0.39) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL2648905 0.73 MAPT (0.39) MAPTLMNASMN1; SMN2NPC1RAB9A

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