SCHEMBL7811786

SCHEMBL7811786

O=C1c2ccccc2C(=O)c2sc(-c3occc3Br)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 7/20 0.53
▸ TDO2 P48775 5/20 0.53
▸ PTPRC P08575 2/20 0.41
▸ USP1 O94782 3/20 0.35
▸ USP19 O94966 2/20 0.35
▸ WDR48 Q8TAF3 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ UCHL3 P15374 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ USP8 P40818 3/20 0.31
▸ USP7 Q93009 1/20 0.31
▸ USP47 Q96K76 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ OTUB1 Q96FW1 1/20 0.31

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
SCHEMBL7816639 0.76 IDO1 (0.57) IDO1TDO2ALDH1A1MAPTADORA2A
SCHEMBL7805785 0.76 IDO1 (0.53) IDO1TDO2PTPRCUSP1USP19
SCHEMBL7807731 0.75 IDO1 (0.52) IDO1TDO2PTPRCUSP1USP19
SCHEMBL7813124 0.74 IDO1 (0.55) IDO1TDO2USP1USP19WDR48
SCHEMBL7808047 0.73 IDO1 (0.79) IDO1TDO2USP1USP19WDR48
SCHEMBL7805851 0.72 IDO1 (0.63) IDO1TDO2USP1USP19WDR48
SCHEMBL7805902 0.72 IDO1 (0.63) IDO1TDO2PTPRCALDH1A1NPC1
SCHEMBL7816954 0.70 IDO1 (1.00) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL7818266 0.70 IDO1 (0.55) IDO1TDO2PTPRCUSP1USP19
SCHEMBL7811800 0.69 IDO1 (0.62) IDO1TDO2ALDH1A1NPC1MAPT

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 7 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-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 claimed
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 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
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