SCHEMBL8618557

SCHEMBL8618557

Cn1cccc1C=Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 2/20 0.40
GAA P10253 2/20 0.40
TLR9 Q9NR96 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL8618552 1.00 TRIM24 (0.47) TRIM24TRIM33MAOAMAOBRAB9A
SCHEMBL12086582 0.82 TRIM24 (0.52) TRIM24TRIM33MAOAMAOBRAB9A
SCHEMBL2787807 0.82 TRIM24 (0.52) TRIM24TRIM33MAOAMAOBRAB9A
SCHEMBL2787808 0.82 TRIM24 (0.52) TRIM24TRIM33MAOAMAOBRAB9A
SCHEMBL15871031 0.82 TRIM24 (0.65) TRIM24TRIM33RAB9AALDH1A1KDM4E
SCHEMBL19076194 0.79 TRPA1 (0.56) RAB9AALDH1A1CYP2C19KDM4EHPGD
SCHEMBL2399252 0.76 EP300 (0.48) TRIM24TRIM33RAB9AALDH1A1KDM4E
SCHEMBL2399255 0.76 EP300 (0.48) TRIM24TRIM33RAB9AALDH1A1KDM4E
SCHEMBL2400973 0.75 EP300 (0.47) TRIM24TRIM33RAB9AALDH1A1KDM4E
SCHEMBL2400966 0.75 EP300 (0.47) TRIM24TRIM33RAB9AALDH1A1KDM4E

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
EP-0674636-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-05-20 EP disclosed
EP-0674636-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP disclosed
WO-1994014804-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO disclosed