SCHEMBL6847480

SCHEMBL6847480

COC(=O)CN1C(=O)C(Cc2ccccc2)Sc2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.54
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.42
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MCL1 Q07820 1/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL5746660 0.80 PPARG (0.48) PPARGLMNAHTTMCL1TSHR
SCHEMBL5747345 0.78 PPARG (0.54) PPARGLMNAHTTSMN1; SMN2MCL1
SCHEMBL5794958 0.77 PPARG (0.42) PPARGLMNAHTTSMN1; SMN2MCL1
SCHEMBL5745185 0.77 LMNA (0.47) LMNACASP3TP53
SCHEMBL5745670 0.75 PPARG (0.52) PPARGLMNAHTTSMN1; SMN2MCL1
SCHEMBL5747047 0.74 PPARG (0.50) PPARGLMNAHTTMCL1MAPK1
Hydroxyamine SCHEMBL5794953 0.73 RAB9A (0.43) PPARGLMNASMN1; SMN2MCL1TSHR
SCHEMBL6841912 0.73 RAB9A (0.45) LMNAHTTSMN1; SMN2TSHRL3MBTL1
SCHEMBL5746078 0.73 PPARG (0.53) PPARGLMNAHTTSMN1; SMN2MCL1
SCHEMBL5745145 0.72 PPARG (0.55) PPARGLMNAHTTSMN1; SMN2MCL1

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
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed