SCHEMBL7811413

SCHEMBL7811413

O=C1c2ccccc2C(=O)c2sc(-c3ccc([N+](=O)[O-])o3)nc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 9/20 0.50
▸ TDO2 P48775 6/20 0.50
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ SLC2A1 P11166 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ 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
SCHEMBL7814769 0.79 IDO1 (0.55) IDO1TDO2NPC1RAB9A
SCHEMBL7808342 0.79 IDO1 (0.55) IDO1TDO2NPC1RAB9A
SCHEMBL7811891 0.79 IDO1 (0.55) IDO1TDO2POLB
SCHEMBL7813124 0.79 IDO1 (0.55) IDO1TDO2POLBNPC1RAB9A
SCHEMBL7812948 0.77 IDO1 (0.52) IDO1TDO2BLMNPC1RAB9A
SCHEMBL25028187 0.73 MMP2 (0.46) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL7816639 0.73 IDO1 (0.57) IDO1TDO2POLBBLMMAOB
SCHEMBL7805846 0.73 IDO1 (0.48) IDO1TDO2POLBNPC1RAB9A
SCHEMBL7811740 0.73 IDO1 (0.45) IDO1TDO2NPC1RAB9A
SCHEMBL12713530 0.72 RAB9A (0.58) MMP2MMP9MMP8MMP13NPC1

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 2 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
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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