SCHEMBL31483501

SCHEMBL31483501

Brc1sc2cc(OCc3ccccc3)ccc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX5 P09917 1/20 0.49
MAOA P21397 3/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL4515585 1.00 MAOB (0.50) MAOBCYP3A4ALOX5MAOACA12
SCHEMBL7942817 0.87 CYP3A4 (0.49) MAOBCYP3A4ALOX5MAOACA12
SCHEMBL7946154 0.86 LMNA (0.49) MAOBCYP3A4ALOX5MAOACA12
SCHEMBL7944431 0.83 MAOB (0.49) MAOBCYP3A4ALOX5MAOACA12
SCHEMBL30610949 0.81 MAOB (0.47) MAOBCYP3A4ALOX5MAOACA12
SCHEMBL17845120 0.81 MAOB (0.47) MAOBCYP3A4ALOX5MAOACA12
SCHEMBL7942882 0.80 CYP1A2 (0.50) MAOBCYP3A4ALOX5MAOALMNA
SCHEMBL22499966 0.80 PPARG (0.45) MAOBCYP3A4MAOASMN1; SMN2TNKS2
SCHEMBL20425450 0.79 MAOB (0.45) MAOBCYP3A4ALOX5MAOA
SCHEMBL30610975 0.79 MAOB (0.45) MAOBCYP3A4ALOX5MAOA

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
CN-119768396-A Novel substituted benzothiophene-6-carboxylic acid derivatives, process for their preparation and their therapeutic use 赛诺菲 2025-04-04 CN disclosed