SCHEMBL7813017

SCHEMBL7813017

O=C1c2ccc(F)cc2C(=O)c2sc(-c3ccco3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
TDO2 P48775 1/20 0.43
PIK3R1 P27986 3/20 0.40
PIK3CA P42336 3/20 0.40
USP2 O75604 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
USP47 Q96K76 1/20 0.39
ADORA2B P29275 1/20 0.39
MAPK14 Q16539 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL7813184 1.00 IDO1 (0.43) IDO1TDO2PIK3R1PIK3CAUSP2
SCHEMBL7816639 0.86 IDO1 (0.57) IDO1TDO2USP2L3MBTL1ADORA2A
SCHEMBL7815507 0.85 PTGDR2 (0.46) IDO1TDO2PIK3R1PIK3CAADORA2A
SCHEMBL7815676 0.85 PTGDR2 (0.46) IDO1TDO2PIK3R1PIK3CAADORA2A
SCHEMBL7805732 0.85 IDO1 (0.43) IDO1TDO2L3MBTL1ADORA2AADORA1
SCHEMBL7814682 0.85 IDO1 (0.43) IDO1TDO2L3MBTL1ADORA2AADORA1
SCHEMBL7813122 0.82 RAB9A (0.46) IDO1TDO2L3MBTL1ADORA2AADORA1
SCHEMBL7807693 0.82 RAB9A (0.46) IDO1TDO2L3MBTL1ADORA2AADORA1
SCHEMBL7805861 0.80 IDO1 (0.60) IDO1TDO2USP8USP7USP47
SCHEMBL7805662 0.80 IDO1 (0.60) IDO1TDO2USP8USP7USP47

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-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
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