SCHEMBL7807731

SCHEMBL7807731

O=C1c2ccccc2C(=O)c2sc(-c3cc(Br)c(Br)o3)nc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 8/20 0.52
▸ TDO2 P48775 7/20 0.52
▸ MAPT P10636 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ USP1 O94782 1/20 0.34
▸ USP19 O94966 1/20 0.34
▸ WDR48 Q8TAF3 1/20 0.34
▸ USP8 P40818 2/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ USP47 Q96K76 1/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL7813124 0.81 IDO1 (0.55) IDO1TDO2MAPTRAB9ASMN1; SMN2
SCHEMBL7805785 0.80 IDO1 (0.53) IDO1TDO2MAPTRAB9ASMN1; SMN2
SCHEMBL7811377 0.79 IDO1 (0.52) IDO1TDO2MAPTRAB9ASMN1; SMN2
SCHEMBL7811891 0.76 IDO1 (0.55) IDO1TDO2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7808342 0.76 IDO1 (0.55) IDO1TDO2MAPTRAB9ASMN1; SMN2
SCHEMBL7814769 0.76 IDO1 (0.55) IDO1TDO2MAPTRAB9ASMN1; SMN2
SCHEMBL7816639 0.75 IDO1 (0.57) IDO1TDO2MAPTALDH1A1MAOB
SCHEMBL7811786 0.75 IDO1 (0.53) IDO1TDO2MAPTRAB9ASMN1; SMN2
SCHEMBL7812948 0.74 IDO1 (0.52) IDO1TDO2MAPTRAB9ASMN1; SMN2
SCHEMBL7808047 0.72 IDO1 (0.79) IDO1TDO2ALDH1A1USP1USP19

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
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