SCHEMBL8081882

SCHEMBL8081882

Cc1c(C=O)oc2c(Br)cccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
MCL1 Q07820 1/20 0.36
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
CSNK2A1 P68400 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 1/20 0.30
HPGD P15428 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL20526999 0.79 RAB9A (0.43) MCL1ALDH1A1
SCHEMBL20526969 0.79 ATM (0.41) ALDH1A1GAASMN1; SMN2L3MBTL1HPGD
SCHEMBL18702981 0.77 MAOA (0.53) KDM4EALDH1A1L3MBTL1MAOAHPGD
SCHEMBL21964009 0.76 LOXL2 (0.39) LOXL2PIM1PIM3KDM4EALDH1A1
SCHEMBL8038421 0.76 LOXL2 (0.40) LOXL2MCL1KDM4EALDH1A1GAA
SCHEMBL2089679 0.76 LOXL2 (0.40) LOXL2MCL1KDM4EALDH1A1GAA
SCHEMBL23531992 0.74 CYP2A6 (0.38) PIM1PIM3ALDH1A1L3MBTL1MAOA
SCHEMBL13298377 0.73 NQO1 (0.38) LOXL2MCL1KDM4EALDH1A1GAA
SCHEMBL31495900 0.73 LOXL2 (0.35) LOXL2
SCHEMBL15678569 0.71 LOXL2 (0.50) LOXL2KDM4EALDH1A1SMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed
EP-0888324-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1999-01-07 EP disclosed
WO-1997032870-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-09-12 WO disclosed