SCHEMBL326869

SCHEMBL326869

Cc1nccn1-c1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.65
NR4A2 P43354 1/20 0.65
ALDH1A1 P00352 5/20 0.58
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADH5 P11766 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL28186274 0.98 NR4A1 (0.63) NR4A1NR4A2ALDH1A1PDE4APDE4B
SCHEMBL30831804 0.88 PDE4A (0.68) NR4A1NR4A2ALDH1A1PDE4APDE4B
SCHEMBL28100871 0.86 ALDH1A1 (0.58) NR4A1NR4A2ALDH1A1PDE4APDE4B
SCHEMBL31589965 0.86 NR4A1 (0.64) NR4A1NR4A2ALDH1A1PDE4APDE4B
SCHEMBL10201831 0.85 RXRA (0.57) NR4A1NR4A2CYP3A4CYP2D6CYP1A2
SCHEMBL30558759 0.83 ALDH1A1 (0.71) NR4A1NR4A2ALDH1A1PDE4APDE4B
SCHEMBL28427931 0.83 NR4A1 (0.47) NR4A1NR4A2ALDH1A1PDE4APDE4B
SCHEMBL10476781 0.82 NR4A1 (0.60) NR4A1NR4A2ALDH1A1PDE4APDE4B
SCHEMBL327622 0.82 PDE4A (0.54) NR4A1NR4A2ALDH1A1PDE4APDE4B
SCHEMBL17116879 0.82 PDE4A (0.56) NR4A1NR4A2ALDH1A1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112090403-B MAF-stu-13 material with ultra-microporous dia-a network topology structure and synthesis and application thereof 汕头大学 2023-05-30 CN claimed
CN-107286099-B Zinc complex constructed based on 4- (2-methylimidazole) benzoic acid and application thereof 陕西理工学院 2020-09-25 CN claimed
CN-107286099-A Zn complex and its application that one kind is constructed based on 4 (2 methylimidazole) benzoic acid 陕西理工学院 2017-10-24 CN claimed
EP-0169164-B1 IMIDAZOLONECARBONYLARYLIMIDAZOLES; METHOD OF MANUFACTURE, METHOD OF USE AND COMPOSITIONS USEFUL THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-31 EP claimed
CN-112090403-B MAF-stu-13 material with ultra-microporous dia-a network topology structure and synthesis and application thereof 汕头大学 2023-05-30 CN disclosed
CN-112090403-A MAF-stu-13 material with ultramicropore dia-a network topological structure and synthesis and application thereof 汕头大学 2020-12-18 CN disclosed
CN-107286099-B Zinc complex constructed based on 4- (2-methylimidazole) benzoic acid and application thereof 陕西理工学院 2020-09-25 CN disclosed
CN-107286099-B Zinc complex constructed based on 4- (2-methylimidazole) benzoic acid and application thereof 陕西理工学院 2020-09-25 CN disclosed
CN-107286099-B Zinc complex constructed based on 4- (2-methylimidazole) benzoic acid and application thereof 陕西理工学院 2020-09-25 CN disclosed
EP-2892888-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed
EP-2892888-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed
CN-107286099-A Zn complex and its application that one kind is constructed based on 4 (2 methylimidazole) benzoic acid 陕西理工学院 2017-10-24 CN disclosed
US-5223623-A 2-substituted-1(4)-aryl piperazines and the process for their preparation SCHERING AG (DE) 1993-06-29 US disclosed
EP-0491709-A1 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION SCHERING AKTIENGESELLSCHAFT (DE) 1992-07-01 EP disclosed
US-5051422-A 2-substituted-1(4)-aryl piperazines and the process for their preparation SCHERING AG (DE) 1991-09-24 US disclosed
WO-1991004250-A1 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-04-04 WO disclosed
EP-0169164-B1 IMIDAZOLONECARBONYLARYLIMIDAZOLES; METHOD OF MANUFACTURE, METHOD OF USE AND COMPOSITIONS USEFUL THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-31 EP disclosed
US-4709043-A Process for the preparation of imidazolonecarbonylarylimidazoles SCHERING A.G. (DE) 1987-11-24 US disclosed
EP-0169164-A1 Imidazolonecarbonylarylimidazoles; method of manufacture, method of use and compositions useful thereof SCHERING AKTIENGESELLSCHAFT (DE) 1986-01-22 EP disclosed
US-4556665-A Cardiotonic 1,3-dihydro-4-[[(imidazol-1-yl)aryl]carbonyl]imidazol-2-ones SCHERING A.G. (DE) 1985-12-03 US disclosed