SCHEMBL7814682

SCHEMBL7814682

Cc1ccc2c(c1)C(=O)c1nc(-c3ccco3)sc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
TDO2 P48775 1/20 0.43
ELANE P08246 1/20 0.41
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
ADORA2A P29274 4/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.36
LCK P06239 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
SCHEMBL7805732 1.00 IDO1 (0.43) IDO1TDO2ELANEMAOBMAOA
SCHEMBL7816639 0.86 IDO1 (0.57) IDO1TDO2MAOBADORA2AALDH1A1
SCHEMBL7815507 0.85 PTGDR2 (0.46) IDO1TDO2MAOBUSP8USP7
SCHEMBL7815676 0.85 PTGDR2 (0.46) IDO1TDO2MAOBUSP8USP7
SCHEMBL7813017 0.85 IDO1 (0.43) IDO1TDO2MAOBUSP8USP7
SCHEMBL7813184 0.85 IDO1 (0.43) IDO1TDO2MAOBUSP8USP7
SCHEMBL7813122 0.85 RAB9A (0.46) IDO1TDO2USP8ADORA2ARAB9A
SCHEMBL7807693 0.85 RAB9A (0.46) IDO1TDO2USP8ADORA2ARAB9A
SCHEMBL7808005 0.80 IDO1 (0.60) IDO1TDO2ELANEMAOBMAOA
SCHEMBL7805807 0.80 IDO1 (0.60) IDO1TDO2ELANEMAOBMAOA

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