SCHEMBL7807693

SCHEMBL7807693

COc1ccc2c(c1)C(=O)c1sc(-c3ccco3)nc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 4/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
RECQL P46063 2/20 0.46
MCL1 Q07820 2/20 0.46
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
PTPN7 P35236 1/20 0.46
HTT P42858 1/20 0.46
BLM P54132 1/20 0.46
ADORA3 P0DMS8 6/20 0.46
ADORA2A P29274 6/20 0.46
ADORA1 P30542 6/20 0.46
ADORA2B P29275 4/20 0.42

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
SCHEMBL7813122 1.00 RAB9A (0.46) RAB9AALDH1A1MAPTHPGDKDM4E
SCHEMBL7814682 0.85 IDO1 (0.43) RAB9AALDH1A1MAPTHPGDKDM4E
SCHEMBL7805732 0.85 IDO1 (0.43) RAB9AALDH1A1MAPTHPGDKDM4E
SCHEMBL7816639 0.83 IDO1 (0.57) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL7813017 0.82 IDO1 (0.43) RAB9AALDH1A1MAPTHPGDKDM4E
SCHEMBL7815507 0.82 PTGDR2 (0.46) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL7813184 0.82 IDO1 (0.43) RAB9AALDH1A1MAPTHPGDKDM4E
SCHEMBL7815676 0.82 PTGDR2 (0.46) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL7811890 0.81 IDO1 (0.56) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL7813112 0.81 IDO1 (0.56) RAB9AMAPTKDM4EMEN1KMT2A

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