SCHEMBL7805489

SCHEMBL7805489

O=C1c2cccc(F)c2C(=O)c2sc(-c3ccco3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.41
TDO2 P48775 5/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 1/20 0.39
PIK3R1 P27986 3/20 0.39
PIK3CA P42336 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
BLM P54132 2/20 0.35
CASP7 P55210 2/20 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
SCHEMBL7811756 0.95 IDO1 (0.41) IDO1TDO2ADORA2AADORA1PIK3R1
SCHEMBL7805503 0.86 MAOA (0.44) IDO1TDO2ADORA2AADORA1PIK3R1
SCHEMBL7805852 0.85 ADORA2A (0.41) IDO1TDO2ADORA2AADORA1L3MBTL1
SCHEMBL7816639 0.83 IDO1 (0.57) IDO1TDO2ADORA2AADORA1L3MBTL1
SCHEMBL7813039 0.82 ALDH1A1 (0.43) IDO1TDO2ADORA2AADORA1PIK3R1
SCHEMBL7813200 0.81 MAOA (0.44) IDO1TDO2ADORA2AADORA1PIK3R1
SCHEMBL7815082 0.81 ADORA2A (0.41) IDO1TDO2ADORA2AADORA1L3MBTL1
SCHEMBL7813184 0.78 IDO1 (0.43) IDO1TDO2ADORA2AADORA1PIK3R1
SCHEMBL7813017 0.78 IDO1 (0.43) IDO1TDO2ADORA2AADORA1PIK3R1
SCHEMBL7815043 0.78 ALDH1A1 (0.43) IDO1TDO2ADORA2AADORA1PIK3R1

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