SCHEMBL8226533

SCHEMBL8226533

CNCc1csc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.49
MAPT P10636 3/20 0.49
DAO P14920 2/20 0.40
CTPS1 P17812 1/20 0.39
HPGD P15428 6/20 0.37
HTT P42858 2/20 0.37
CA2 P00918 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 3/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34

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
SCHEMBL8257019 0.85 NPSR1 (0.43) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL8180294 0.84 NPSR1 (0.48) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL1401548 0.82 NPSR1 (0.47) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL127894 0.81 NPSR1 (0.46) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL1401554 0.81 NPSR1 (0.46) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL5879739 0.81 LOXL2 (0.49) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL4208760 0.80 MAPT (0.42) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL8226496 0.79 DAO (0.47) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL9850003 0.79 CYP4A11 (0.49) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL20996774 0.79 NPSR1 (0.41) NPSR1MAPTDAOCTPS1HPGD

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-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed