SCHEMBL23929409

SCHEMBL23929409

O=C1OCc2cc(Br)ccc21.O=C1OCc2cc(Oc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.56
MAOB P27338 14/20 0.56
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PRF1 P14222 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SLC9A3 P48764 1/20 0.41
RECQL P46063 1/20 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
SCHEMBL15268421 0.91 MAOA (0.64) MAOAMAOBMAPTLMNAGAA
SCHEMBL30123554 0.91 MAOA (0.64) MAOAMAOBMAPTLMNAGAA
SCHEMBL87174 0.83 MAPT (0.61) MAOAMAOBMAPTLMNAGAA
SCHEMBL29492902 0.83 MAPT (0.61) MAOAMAOBMAPTLMNAGAA
SCHEMBL30123469 0.79 MAOA (0.70) MAOAMAOB
SCHEMBL20425169 0.79 MAOA (0.70) MAOAMAOB
Diphenylether SCHEMBL9513504 0.77 MAOA (0.74) MAOAMAOBMAPTLMNAGAA
SCHEMBL21662902 0.77 MAOA (0.54) MAOAMAOBMAPTLMNAGAA
SCHEMBL29933676 0.76 PRF1 (0.59) MAOAMAOBMAPTLMNAGAA
SCHEMBL28914301 0.76 PRF1 (0.59) MAOAMAOBMAPTLMNAGAA

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-2021214785-A1 IMPROVED PROCESS FOR THE PREPARATION OF ROXADUSTAT MYLAN LABORATORIES LIMITED (IN) 2021-10-28 WO disclosed