SCHEMBL7805763

SCHEMBL7805763

O=C1c2ccccc2C(=O)c2sc(-c3ccsc3)nc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.69
TDO2 P48775 5/20 0.69
PTGS2 P35354 1/20 0.48
PTPRC P08575 1/20 0.47
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
MAOB P27338 1/20 0.38
USP1 O94782 1/20 0.37
USP19 O94966 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2B6 P20813 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
AHR P35869 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDC7 O00311 1/20 0.36

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
SCHEMBL7808047 0.83 IDO1 (0.79) IDO1TDO2PTGS2USP1USP19
SCHEMBL7816954 0.82 IDO1 (1.00) IDO1TDO2PTGS2NPC1ALDH1A1
SCHEMBL7805767 0.78 IDO1 (0.71) IDO1TDO2PTGS2MAOBUSP1
Sulfuric Acid SCHEMBL7813028 0.77 IDO1 (0.89) IDO1TDO2PTGS2NPC1ALDH1A1
SCHEMBL7805851 0.75 IDO1 (0.63) IDO1TDO2USP1USP19WDR48
SCHEMBL7812685 0.75 IDO1 (0.72) IDO1TDO2PTGS2USP1NPC1
SCHEMBL7805902 0.75 IDO1 (0.63) IDO1TDO2PTGS2PTPRCNPC1
SCHEMBL7811800 0.75 IDO1 (0.62) IDO1TDO2PTGS2NPC1ALDH1A1
SCHEMBL7805716 0.74 IDO1 (0.62) IDO1TDO2PTGS2MAOBSMN1; SMN2
SCHEMBL7815259 0.73 IDO1 (0.63) IDO1TDO2PTPRCALDH1A1RAB9A

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