SCHEMBL7273555

SCHEMBL7273555

CCO/C=C/C(=O)Nc1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.57
MAOA P21397 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
TGM2 P21980 1/20 0.56
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 3/20 0.49
TRPV1 Q8NER1 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45
CCR6 P51684 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL7273562 1.00 MAOB (0.57) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL15359525 0.86 ALDH1A1 (0.48) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL16467712 0.86 ALDH1A1 (0.48) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL27258987 0.84 MMP1 (0.58) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL1439557 0.83 TRPV1 (0.48) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL12246139 0.83 MAOB (0.57) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL2428674 0.83 MAOB (0.57) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL27258977 0.83 DHODH (0.57) ALDH1A1HPGDMAPTGAARAB9A
SCHEMBL2428676 0.83 MAOB (0.57) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL1439555 0.83 TRPV1 (0.48) MAOBMAOAALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4710507-A Quinolone inotropic agents PFIZER INC. (US) 1987-12-01 US disclosed
EP-0148623-A2 Quinolone inotropic agents Pfizer Limited (GB) 1985-07-17 EP disclosed