SCHEMBL30176403

SCHEMBL30176403

Brc1ccc(OCc2ccccc2)cc1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.57
ALOX5 P09917 1/20 0.56
BCHE P06276 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAOA P21397 3/20 0.49
APP P05067 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TOP1 P11387 1/20 0.47

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
SCHEMBL20456375 1.00 MAOB (0.57) MAOBALOX5BCHELMNACYP1A2
SCHEMBL3823883 0.84 MAOB (0.62) MAOBALOX5BCHELMNACYP1A2
SCHEMBL615020 0.81 MAOB (0.59) MAOBALOX5BCHELMNACYP1A2
SCHEMBL30628889 0.81 MAOB (0.59) MAOBALOX5BCHELMNACYP1A2
SCHEMBL281986 0.81 LMNA (0.67) MAOBALOX5BCHELMNACYP1A2
SCHEMBL31069846 0.81 LMNA (0.67) MAOBALOX5BCHELMNACYP1A2
SCHEMBL7879365 0.79 ALOX5 (0.56) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL15941083 0.79 MAOB (0.57) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL2875005 0.79 ALOX5 (0.56) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL2390178 0.79 LMNA (0.59) MAOBALOX5LMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed