SCHEMBL5207054

SCHEMBL5207054

CSc1nc(O)cc(=O)n1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MAPT P10636 7/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 1/20 0.44
HCRTR1 O43613 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK14 Q16539 2/20 0.38
APLNR P35414 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17383103 0.75 GAA (0.38) GAAMAPTKMT2AMEN1HCRTR1
SCHEMBL5205361 0.74 MAPT (0.54) GAAMAPTKMT2AMEN1TSHR
SCHEMBL4742636 0.71 GAA (0.48) GAAMAPTKMT2AMEN1TSHR
SCHEMBL6565157 0.71 MEN1 (0.48) GAAMAPTKMT2AMEN1POLB
SCHEMBL5203831 0.70 TSHR (0.46) GAAMAPTKMT2AMEN1TSHR
SCHEMBL17383126 0.69 MAPT (0.61) GAAMAPTKMT2AMEN1HCRTR1
SCHEMBL4739177 0.68 MAPT (0.49) GAAMAPTKMT2AMEN1TSHR
SCHEMBL4739136 0.68 GAA (0.44) GAAMAPTKMT2AMEN1TSHR
SCHEMBL4738618 0.68 GAA (0.44) GAAMAPTKMT2AMEN1TSHR
SCHEMBL13167712 0.68 APLNR (0.68) GAAMAPTKMT2AMEN1TSHR

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-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO disclosed