SCHEMBL7815327

SCHEMBL7815327

O=C1c2ccc(F)cc2C(=O)c2sc(-c3ccc(F)cc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.56
TDO2 P48775 3/20 0.56
PTGS2 P35354 8/20 0.45
USP8 P40818 1/20 0.43
USP7 Q93009 1/20 0.43
USP47 Q96K76 1/20 0.43
ALOX5 P09917 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
USP1 O94782 1/20 0.39
USP19 O94966 1/20 0.39
UCHL3 P15374 1/20 0.39
APP P05067 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL7812894 1.00 IDO1 (0.56) IDO1TDO2PTGS2USP8USP7
SCHEMBL7812893 0.92 IDO1 (0.51) IDO1TDO2PTGS2USP8USP7
SCHEMBL7812596 0.92 IDO1 (0.51) IDO1TDO2PTGS2USP8USP7
SCHEMBL7805861 0.92 IDO1 (0.60) IDO1TDO2PTGS2USP8USP7
SCHEMBL7805662 0.92 IDO1 (0.60) IDO1TDO2PTGS2USP8USP7
SCHEMBL7805767 0.88 IDO1 (0.71) IDO1TDO2PTGS2ALOX5PTGS1
SCHEMBL12973015 0.81 PTGS2 (0.54) IDO1TDO2PTGS2ALOX5PTGS1
SCHEMBL7813017 0.79 IDO1 (0.43) IDO1TDO2USP8USP7USP47
SCHEMBL7813184 0.79 IDO1 (0.43) IDO1TDO2USP8USP7USP47
SCHEMBL7805716 0.79 IDO1 (0.62) IDO1TDO2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876356-B1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF INNOTHERA SA LAB (FR) 2001-10-31 EP claimed
EP-0876356-B1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF INNOTHERA SA LAB (FR) 2001-10-31 EP disclosed
US-6262095-B1 TREATMENT OF ILLNESS ASSOCIATED WITH AN ALTERATION IN VENOUS FUNCTION AND/OR INFLAMMATORY EDEMA LABORATOIRE INNOTHERA (FR) 2001-07-17 US disclosed