SCHEMBL9532243

SCHEMBL9532243

c1ccc(-c2cn3c(c2-c2ccccc2)CCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.75
PTGS1 P23219 6/20 0.75
ALOX5 P09917 6/20 0.71
WDR5 P61964 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6291354 0.91 PTGS2 (0.68) PTGS2PTGS1ALOX5NPC1LMNA
SCHEMBL6476564 0.91 PTGS2 (0.68) PTGS2PTGS1ALOX5NPC1LMNA
SCHEMBL6477263 0.91 PTGS2 (0.71) PTGS2PTGS1ALOX5WDR5
SCHEMBL6487510 0.87 PTGS2 (1.00) PTGS2PTGS1ALOX5WDR5
SCHEMBL6476132 0.84 PTGS2 (0.65) PTGS2PTGS1ALOX5WDR5ALDH1A1
SCHEMBL6484222 0.84 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL6487506 0.80 PTGS2 (0.57) PTGS2PTGS1ALOX5WDR5ALDH1A1
SCHEMBL9458601 0.80 PTGS2 (0.57) PTGS2PTGS1ALOX5ALDH1A1KDM4E
SCHEMBL6997128 0.78 PTGS2 (0.51) PTGS2PTGS1ALOX5WDR5ALDH1A1
SCHEMBL6488208 0.78 PTGS2 (0.55) PTGS2PTGS1ALOX5WDR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852029-B Method for preparing 2-amino-4, 6-dichloro-5-carboxamido pyrimidine 苏州开元民生科技股份有限公司 2025-02-07 CN disclosed
CN-118852029-A Method for preparing 2-amino-4, 6-dichloro-5-carboxamido pyrimidine 苏州开元民生科技股份有限公司 2024-10-29 CN disclosed
CN-113185469-B Method for modifying photoregulated diaryl dihydrophenazine 南京先进生物材料与过程装备研究院有限公司 2022-08-09 CN disclosed
EP-3959328-A1 PRODUCTION OF CHEMICALS FROM RENEWABLE SOURCES Zymochem, Inc. (US) 2022-03-02 EP disclosed
EP-1419160-B1 METHOD FOR THE PRODUCTION OF 6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YLACETIC ACID MERCKLE GMBH (DE) 2008-12-10 EP disclosed
EP-0397175-B1 Substituted pyrrolizine compounds and theit use as pharmaceuticals DANNHARDT GERD PROF DR (DE) 1993-12-08 EP disclosed
EP-0288196-B1 Sulfonyldecahydro-8H-isoquino[2,1-g][1,6]naphthyridines, optical isomers thereof and related compounds SYNTEX (U.S.A.) INC. (US) 1993-07-28 EP disclosed
EP-0524004-A1 Decahydro-8H-isoquino[2,1-g][1,6]naphthyridine and decahydrobenzo[a]pyrrolo[2,3-e]quinolizine derivatives SYNTEX (U.S.A.) INC. (US) 1993-01-20 EP disclosed
EP-0397175-A1 Substituted pyrrolizine compounds and theit use as pharmaceuticals Dannhardt, Gerd, Prof.Dr. (DE) 1990-11-14 EP disclosed