SCHEMBL27259698

SCHEMBL27259698

O=C(O)COc1ccc(Oc2cnc3ccc(Br)cc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 8/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
HIF1A Q16665 1/20 0.44
GMNN O75496 1/20 0.44
APEX1 P27695 1/20 0.44
PMP22 Q01453 1/20 0.44
CTRC Q99895 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL20952165 0.87 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2PTGDR2
SCHEMBL27259856 0.85 MEN1 (0.50) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL27259682 0.85 ALDH1A1 (0.60) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL27259726 0.85 HTT (0.53) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL27259321 0.85 CTRC (0.47) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL27259671 0.83 MEN1 (0.73) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL27259866 0.80 HTT (0.64) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL27259784 0.80 HTT (0.47) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL18579883 0.80 ALDH1A1 (0.55) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL27259759 0.80 HTT (0.47) MEN1KMT2AHTTALDH1A1LMNA

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 1 patent. 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