SCHEMBL7811743

SCHEMBL7811743

CC(=O)Oc1cc(C)c(-c2nc3c(s2)C(=O)c2ccccc2C3=O)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 7/20 0.46
▸ TDO2 P48775 5/20 0.44
▸ GLA P06280 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ MAOB P27338 1/20 0.35
▸ STAT3 P40763 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BCL2 P10415 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ADK P55263 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
SCHEMBL7811377 0.72 IDO1 (0.52) IDO1TDO2GLAPKMMAOB
SCHEMBL7811740 0.70 IDO1 (0.45) IDO1TDO2GLAALOX5ALDH1A1
SCHEMBL7811891 0.69 IDO1 (0.55) IDO1TDO2PKMALDH1A1POLB
SCHEMBL7805846 0.68 IDO1 (0.48) IDO1TDO2ALDH1A1NPC1POLB
SCHEMBL7808047 0.66 IDO1 (0.79) IDO1TDO2ALDH1A1POLB
SCHEMBL7811786 0.65 IDO1 (0.53) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL7816362 0.65 IDO1 (0.55) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL7805902 0.65 IDO1 (0.63) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL7812948 0.65 IDO1 (0.52) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL7807731 0.65 IDO1 (0.52) IDO1TDO2MAOBALDH1A1NPC1

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 1 patent. 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
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