SCHEMBL672428

SCHEMBL672428

Cc1c(CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2=O)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TRPC5 Q9UL62 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PANK3 Q9H999 1/20 0.40
GAA P10253 1/20 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
SCHEMBL672427 1.00 MAPT (0.47) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL2393208 0.80 MAPT (0.68) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL670519 0.76 MAPT (0.48) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1725148 0.67 MAPT (0.68) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1725143 0.67 MAPT (0.68) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1724715 0.66 MAPT (0.67) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL6704714 0.65 ALDH1A1 (0.97) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL22465858 0.65 KMT2A (1.00) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL30464683 0.65 MAPT (0.74) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL854731 0.65 MAPT (0.74) MAPTALDH1A1L3MBTL1NPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed