SCHEMBL7811800

SCHEMBL7811800

O=C1c2ccccc2C(=O)c2sc(-c3cccs3)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.62
TDO2 P48775 5/20 0.62
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
KDM4E B2RXH2 6/20 0.46
PTGS2 P35354 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7815259 0.78 IDO1 (0.63) IDO1TDO2ADORA2AADORA1RAB9A
SCHEMBL7808047 0.78 IDO1 (0.79) IDO1TDO2KDM4EPTGS2ALDH1A1
SCHEMBL7816954 0.77 IDO1 (1.00) IDO1TDO2ADORA2AADORA1KDM4E
SCHEMBL7805902 0.76 IDO1 (0.63) IDO1TDO2KDM4EPTGS2RAB9A
SCHEMBL7805763 0.75 IDO1 (0.69) IDO1TDO2PTGS2RAB9ANPC1
SCHEMBL7974992 0.73 IDO1 (1.00) IDO1TDO2KDM4ERAB9ANPC1
SCHEMBL7805767 0.73 IDO1 (0.71) IDO1TDO2PTGS2RAB9ANPC1
Sulfuric Acid SCHEMBL7813028 0.72 IDO1 (0.89) IDO1TDO2PTGS2RAB9ANPC1
SCHEMBL7958280 0.72 IDO1 (0.57) IDO1TDO2RAB9ANPC1ALDH1A1
SCHEMBL7816639 0.72 IDO1 (0.57) IDO1TDO2ADORA2AADORA1KDM4E

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