SCHEMBL27295437

SCHEMBL27295437

O=[N+]([O-])c1cc(Br)cc(C2OCCO2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GPR35 Q9HC97 8/20 0.39
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL17320654 0.83 GPR35 (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL25385922 0.78 S100A4 (0.41) ERN1MAPTMEN1KMT2AHTT
SCHEMBL29404173 0.78 HTT (0.40) ALDH1A1MAPTHTTL3MBTL1MAPK1
SCHEMBL4144580 0.76 ERN1 (0.69) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL22835493 0.76 SNCA (0.37) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27295454 0.73 HTT (0.32) ERN1HTT
SCHEMBL13485503 0.73 GPR35 (0.36) GPR35
SCHEMBL31056424 0.72 HPGD (0.32) ERN1MAPTMEN1KMT2AHTT
SCHEMBL17311198 0.72 TTR (0.50) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL10658982 0.72 BACE1 (0.41) ALDH1A1MAPTMEN1KMT2AHTT

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-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 WO disclosed