SCHEMBL29594580

SCHEMBL29594580

O=c1ccc2c(Br)cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.52
PDE3A Q14432 7/20 0.52
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
AHR P35869 1/20 0.50
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
NOS1 P29475 1/20 0.42
AXL P30530 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL709815 1.00 PDE3B (0.52) PDE3BPDE3ACA12CA9AHR
SCHEMBL29029070 0.82 CA12 (0.38) PDE3BPDE3ACA12CA9AHR
SCHEMBL10285341 0.77 CA12 (0.48) PDE3BPDE3ACA12CA9CA1
SCHEMBL31688848 0.75 CYP1A2 (0.62) CA12CA9AHRCYP1A2CYP2C19
SCHEMBL433885 0.75 TNKS2 (0.62) PDE3BPDE3ACA12CA9CA1
SCHEMBL332886 0.75 TDP1 (0.50) PDE3BPDE3ACA12CA9CA1
SCHEMBL30946262 0.75 CA12 (0.47) PDE3BPDE3ACA12CA9CA1
SCHEMBL3874061 0.75 KDM4E (0.60) PDE3BPDE3ACA12CA9CA1
SCHEMBL1082903 0.75 DAO (0.53) PDE3BPDE3ACA12CA9CA1
SCHEMBL30946271 0.75 DAO (0.53) PDE3BPDE3ACA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583874-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2025-07-16 EP disclosed
WO-2024132001-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2024-06-27 WO disclosed
CN-116368128-A Heterocyclic compounds as CBP/EP300 bromodomain inhibitors 奥瑞基尼肿瘤有限公司 2023-06-30 CN disclosed
EP-3993878-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME Curasen Therapeutics, Inc. (US) 2022-05-11 EP disclosed
CN-114340740-A Beta adrenergic agonists and methods of use thereof 库拉森疗法公司 2022-04-12 CN disclosed