SCHEMBL7812573

SCHEMBL7812573

COc1cccc2c1C(=O)c1nc(-c3ccccc3)sc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.53
TDO2 P48775 3/20 0.53
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
EGFR P00533 1/20 0.44
PIM1 P11309 1/20 0.44
ELANE P08246 2/20 0.43
PTGS2 P35354 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL7805816 0.95 IDO1 (0.53) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL7808401 0.83 IDO1 (0.57) IDO1TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7815043 0.81 ALDH1A1 (0.43) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL7808047 0.79 IDO1 (0.79) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL7815486 0.78 IDO1 (0.57) IDO1TDO2ALDH1A1MAPTRAB9A
SCHEMBL7815358 0.76 IDO1 (0.58) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL7813039 0.76 ALDH1A1 (0.43) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL7811890 0.75 IDO1 (0.56) IDO1TDO2MEN1KMT2AMAPT
SCHEMBL7813112 0.75 IDO1 (0.56) IDO1TDO2MEN1KMT2AMAPT
SCHEMBL22732884 0.72 IDO1 (0.63) IDO1TDO2ALDH1A1MEN1KMT2A

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 5 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
EP-0876356-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA Société Anonyme (FR) 1998-11-11 EP disclosed
WO-1997021684-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA, SOCIETE ANONYME (FR) 1997-06-19 WO disclosed