SCHEMBL7813112

SCHEMBL7813112

COc1ccc2c(c1)C(=O)c1sc(-c3ccccc3)nc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.56
TDO2 P48775 3/20 0.56
PTPN1 P18031 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP8 P40818 2/20 0.45
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43

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
SCHEMBL7811890 1.00 IDO1 (0.56) IDO1TDO2PTPN1ALOX5PTGDR2
SCHEMBL7805807 0.83 IDO1 (0.60) IDO1TDO2ALOX5PTGDR2MEN1
SCHEMBL7808005 0.83 IDO1 (0.60) IDO1TDO2ALOX5PTGDR2MEN1
SCHEMBL7808047 0.82 IDO1 (0.79) IDO1TDO2PTGDR2MEN1KMT2A
SCHEMBL7807693 0.81 RAB9A (0.46) IDO1TDO2TP53MEN1NPC1
SCHEMBL7813122 0.81 RAB9A (0.46) IDO1TDO2TP53MEN1NPC1
SCHEMBL7805861 0.81 IDO1 (0.60) IDO1TDO2ALOX5PTGDR2MEN1
SCHEMBL7805662 0.81 IDO1 (0.60) IDO1TDO2ALOX5PTGDR2MEN1
SCHEMBL7812573 0.75 IDO1 (0.53) IDO1TDO2ALOX5PTGDR2MEN1
SCHEMBL7805816 0.75 IDO1 (0.53) IDO1TDO2ALOX5PTGDR2MEN1

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