SCHEMBL2779620

SCHEMBL2779620

O=C1C=Cc2ncccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
S100A4 P26447 1/20 0.34
CDC25B P30305 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
CYP19A1 P11511 2/20 0.33
TNF P01375 2/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 1/20 0.33
CYP2A6 P11509 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
SCHEMBL30482807 1.00 GSK3A (0.39) GSK3AGSK3BS100A4CDC25BTDP1
SCHEMBL13859949 0.85 TSHR (0.35) S100A4CDC25BTDP1CYP19A1TNF
SCHEMBL17936813 0.76
SCHEMBL2589448 0.76
SCHEMBL401773 0.74 TRPA1 (0.40) CYP19A1CYP1A2CA12CA1CA2
SCHEMBL28513579 0.73 GSK3A (0.40) GSK3AGSK3BCYP19A1TNF
SCHEMBL13859947 0.73 CA12 (0.33) CYP1A2CA12CA1CA2CA9
SCHEMBL4964849 0.71 TRPA1 (0.32) TDP1MEN1THRBBLMKMT2A
SCHEMBL9276484 0.70
SCHEMBL13859957 0.69 CYP11B1 (0.34) CYP19A1CYP2A6

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104507948-A Method for producing nitrogenated heterocyclic N-oxide compound NISSAN CHEMICAL IND LTD 2015-04-08 CN claimed
JP-2008514565-A 2008-05-08 JP claimed
EP-1793822-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-13 EP claimed
WO-2006032519-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO claimed
WO-2003103666-A2 NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES ALTANA PHARMA AG (DE) 2003-12-18 WO claimed
WO-2003104233-A1 4,5-DIHYDRO-IMIDAZO (4,5,1-IJ) QUINOLIN-6-ONES DERIVATIVES AND THEIR USE AS POLY (ADP-RIBOSYL) TRANSFERASE (PARP) INHIBITORS ALTANA PHARMA AG (DE) 2003-12-18 WO claimed
WO-2003020698-A2 PROTEIN TYROSINE KINASE INHIBITORS PROCHON BIOTECH LTD. (IL) 2003-03-13 WO claimed
CN-119317623-A Tricyclic quinolone BCL6 bifunctional degradation agents 树线生物科学公司 2025-01-14 CN disclosed
CN-113614082-B Material for organic electroluminescent device 默克专利有限公司 2024-06-18 CN disclosed
CN-117362368-A Macrolide-quinolone derivative and preparation method and application thereof 北京理工大学 2024-01-09 CN disclosed
CN-107312009-B Quinoline compound, preparation method, intermediate, pharmaceutical composition and application thereof 上海医药集团股份有限公司 2022-09-20 CN disclosed
EP-3961640-A1 CONTROL SYSTEM FOR CONTROL OF DISTRIBUTION OF MEDICATION Zogenix International Limited (GB) 2022-03-02 EP disclosed
EP-3947372-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2022-02-09 EP disclosed
CN-87104651-A The BCD tricyclic ergoline part-structure analoguse 1988-01-13 CN disclosed
EP-0015308-B1 PROCESS FOR THE SELECTIVE DEGRADATION OF SIDE CHAINS OF STEROID COMPOUNDS AND FOR THE PREPARATION OF THE APPROPRIATE DEFECTIVE MICROORGANISM MUTANTS AND MICROORGANISM STRAINS Henkel Kommanditgesellschaft auf Aktien (DE) 1987-04-29 EP disclosed
EP-0061688-B1 PROCESS FOR THE CONTROLLED MICROBIAL DEGRADATION OF BILE ACIDS Henkel Kommanditgesellschaft auf Aktien (DE) 1985-08-28 EP disclosed
US-4362815-A DEGRADATION OF STEROIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1982-12-07 US disclosed
EP-0061688-A1 Process for the controlled microbial degradation of bile acids Henkel Kommanditgesellschaft auf Aktien (DE) 1982-10-06 EP disclosed
EP-0015308-A1 Process for the selective degradation of side chains of steroid compounds and for the preparation of the appropriate defective microorganism mutants and microorganism strains Henkel Kommanditgesellschaft auf Aktien (DE) 1980-09-17 EP disclosed
EP-0005505-A2 Open-cell foamed polyurethane resins containing compounds forming chelates and/or complexes of chelates, process for their preparation and their application to the adsorption of heavy-metal ions from waste water BASF Aktiengesellschaft (DE) 1979-11-28 EP disclosed