SCHEMBL7833947

SCHEMBL7833947

COc1c(-c2ccc(SC)c(F)c2)cnn(Cc2ccccc2)c1=O.CSc1ccc(B(O)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
PTGS1 P23219 5/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
PPARG P37231 2/20 0.42
NCOA2 Q15596 2/20 0.42
NCOA1 Q15788 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPBWR1 P48145 6/20 0.40
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL4193039 0.92 PTGS2 (0.48) PTGS2PTGS1ALDH1A1HTTLMNA
SCHEMBL4176052 0.80 HTT (0.50) PTGS2PTGS1ALDH1A1HTTLMNA
SCHEMBL4185514 0.78 PTGS2 (0.54) PTGS2PTGS1ALDH1A1HTTLMNA
SCHEMBL4182856 0.76 PTGS2 (0.54) PTGS2PTGS1ALDH1A1HTTLMNA
SCHEMBL4187497 0.75 ALDH1A1 (0.44) PTGS2PTGS1ALDH1A1HTTLMNA
SCHEMBL4384062 0.72 PTGS2 (0.60) PTGS2PTGS1ALDH1A1HTTHSD17B10
SCHEMBL4804773 0.72 PTGS2 (0.61) PTGS2PTGS1ALDH1A1HTTHSD17B10
SCHEMBL10255330 0.72 NPBWR1 (0.67) PTGS2PTGS1ALDH1A1HTTHSD17B10
SCHEMBL4194402 0.70 NPBWR1 (0.47) ALDH1A1PPARGNCOA2NCOA1NPSR1
SCHEMBL4186872 0.70 ALDH1A1 (0.39) ALDH1A1LMNAPPARGNCOA2NCOA1

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-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed