SCHEMBL7815259

SCHEMBL7815259

O=C1c2ccccc2C(=O)c2sc(-c3nccs3)nc21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.63
TDO2 P48775 5/20 0.61
ADORA2A P29274 3/20 0.52
ADORA1 P30542 3/20 0.52
PDPK1 O15530 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPRC P08575 1/20 0.40
TGFBR1 P36897 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
RAB9A P51151 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 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
SCHEMBL7974992 0.78 IDO1 (1.00) IDO1TDO2ALDH1A1TGFBR1RAB9A
SCHEMBL7811800 0.78 IDO1 (0.62) IDO1TDO2ADORA2AADORA1ALDH1A1
SCHEMBL7808047 0.76 IDO1 (0.79) IDO1TDO2ALDH1A1
SCHEMBL7816954 0.76 IDO1 (1.00) IDO1TDO2ADORA2AADORA1ALDH1A1
SCHEMBL7805902 0.75 IDO1 (0.63) IDO1TDO2ALDH1A1PTPRCRAB9A
SCHEMBL7805763 0.73 IDO1 (0.69) IDO1TDO2ALDH1A1PTPRCRAB9A
SCHEMBL7812685 0.72 IDO1 (0.72) IDO1TDO2ALDH1A1RAB9A
SCHEMBL27802664 0.72 IDO1 (0.47) IDO1ADORA2AADORA1PDPK1ALDH1A1
SCHEMBL7805767 0.72 IDO1 (0.71) IDO1TDO2ALDH1A1RAB9A
Sulfuric Acid SCHEMBL7813028 0.71 IDO1 (0.89) IDO1TDO2ALDH1A1RAB9A

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