SCHEMBL7812948

SCHEMBL7812948

O=C1c2ccccc2C(=O)c2sc(-c3ccc(CO)o3)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 7/20 0.52
▸ TDO2 P48775 5/20 0.52
▸ CYP2C19 P33261 2/20 0.41
▸ HIF1A Q16665 6/20 0.40
▸ EPAS1 Q99814 6/20 0.40
▸ CYP2A6 P11509 1/20 0.37
▸ PDE5A O76074 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL7811740 0.82 IDO1 (0.45) IDO1TDO2CYP2C19KDM4EALDH1A1
SCHEMBL7811891 0.81 IDO1 (0.55) IDO1TDO2CYP2C19KDM4EALDH1A1
SCHEMBL7814769 0.81 IDO1 (0.55) IDO1TDO2KDM4EALDH1A1MAPT
SCHEMBL7813124 0.81 IDO1 (0.55) IDO1TDO2CYP2C19KDM4EALDH1A1
SCHEMBL7808342 0.81 IDO1 (0.55) IDO1TDO2ALDH1A1MAPTNPC1
SCHEMBL7805846 0.78 IDO1 (0.48) IDO1TDO2CYP2C19KDM4EALDH1A1
SCHEMBL7811413 0.77 IDO1 (0.50) IDO1TDO2NPC1RAB9ABLM
SCHEMBL7816639 0.75 IDO1 (0.57) IDO1TDO2KDM4EALDH1A1MAPT
SCHEMBL7807731 0.74 IDO1 (0.52) IDO1TDO2ALDH1A1MAPTNPC1
SCHEMBL7811377 0.74 IDO1 (0.52) IDO1TDO2CYP2C19KDM4EALDH1A1

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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