SCHEMBL6923977

SCHEMBL6923977

O=C(CO)c1cc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.68
FLT3 P36888 3/20 0.67
KDM4E B2RXH2 4/20 0.65
MAPT P10636 1/20 0.65
DAO P14920 1/20 0.65
HPGD P15428 1/20 0.65
SRD5A2 P31213 1/20 0.65
HSD17B10 Q99714 1/20 0.65
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
MAPK1 P28482 1/20 0.62
MAOB P27338 1/20 0.57
LMNA P02545 2/20 0.54
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AKR1C3 P42330 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL9098845 0.84 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL2730199 0.84 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL30148164 0.84 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL7844858 0.84 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL30148093 0.84 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL9788957 0.84 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL28414304 0.82 IDO1 (0.64) IDO1FLT3KDM4EMAPTDAO
SCHEMBL9100296 0.82 IDO1 (0.64) IDO1FLT3KDM4EMAPTDAO
SCHEMBL28471306 0.81 FLT3 (0.71) IDO1FLT3KDM4EMAPTDAO
SCHEMBL17287276 0.81 IDO1 (1.00) IDO1FLT3KDM4EMAPTDAO

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935463-B1 USE OF ANTI-NEUROGENIC INFLAMMATORY COMPOUNDS AND COMPOSITIONS HARBOR BRANCH OCEANOGRAPHIC (US) 2004-01-21 EP disclosed
US-6090811-A ANALGESIC HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 2000-07-18 US disclosed
US-5955462-A ANTIINFLAMMATORY AGENTS FOR NEUROGENIC INFLAMMATION AND ADMINISTERING BISINDOLE OR COMPOUNDS HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1999-09-21 US disclosed
EP-0935463-A2 ANTI-NEUROGENIC INFLAMMATORY COMPOUNDS AND COMPOSITIONS AND METHODS OF USE THEREOF HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1999-08-18 EP disclosed
WO-1998018466-A2 ANTI-NEUROGENIC INFLAMMATORY COMPOUNDS AND COMPOSITIONS AND METHODS OF USE THEREOF HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1998-05-07 WO disclosed
EP-0686154-B1 NOVEL USE AS ANTI-INFLAMMATORY AGENTS FOR BIS-HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF HARBOR BRANCH OCEANOGRAPHIC (US) 1998-04-22 EP disclosed
US-5496950-A ANTIINFLAMMATORY AGENTS HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1996-03-05 US disclosed
EP-0686154-A1 NOVEL USE AS ANTI-INFLAMMATORY AGENTS FOR BIS-HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1995-12-13 EP disclosed
US-5464835-A Antiinflammatory agents HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1995-11-07 US disclosed
WO-1994019343-A2 NOVEL USE AS ANTI-INFLAMMATORY AGENTS FOR BIS-HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1994-09-01 WO disclosed
US-5290777-A Use for topsentin compounds and pharmaceutical compositions containing same REGENTS OF THE UNIV. OF CALIFORNIA (US) 1994-03-01 US disclosed
US-4866084-A EXTRACTED FROM SPONGES HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1989-09-12 US disclosed