SCHEMBL6984241

SCHEMBL6984241

CSc1ccccc1OC(=O)CN

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6249151 0.83 PTGS2 (0.56) PTGS2POLBMAPTTDP1L3MBTL1
SCHEMBL6535146 0.83 PTGS2 (0.44) PTGS2POLBMAPTTDP1L3MBTL1
SCHEMBL6250374 0.83 PTGS2 (0.44) PTGS2POLBMAPTTDP1L3MBTL1
SCHEMBL1158349 0.80 POLB (0.46) PTGS2POLBMAPTTDP1L3MBTL1
SCHEMBL9351941 0.80 POLB (0.49) PTGS2POLBMAPTTDP1L3MBTL1
SCHEMBL6251303 0.79 PTGS2 (0.41) PTGS2POLBMAPTTDP1L3MBTL1
SCHEMBL6031819 0.78 PTGS2 (0.62) PTGS2TDP1TSHRKDM4EHPGD
SCHEMBL9351756 0.78 POLB (0.47) PTGS2POLBMAPTTDP1L3MBTL1
SCHEMBL6984154 0.77 MAPT (0.55) POLBMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL10434712 0.77 POLB (0.46) PTGS2POLBMAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed