SCHEMBL6533739

SCHEMBL6533739

O=c1ccc2c(ccn2CCc2ccc(Cl)s2)n1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPA1 O75762 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
CYP19A1 P11511 2/20 0.31
HTR7 P34969 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KAT2B Q92831 1/20 0.30
ADORA2B P29275 1/20 0.30
F10 P00742 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
SCHEMBL4715699 0.88 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CYP19A1MEN1
SCHEMBL5124881 0.79 GSK3A (0.39) HTR7MEN1LMNAKMT2AL3MBTL1
SCHEMBL4713845 0.74 BRD4 (0.46) MEN1KMT2A
SCHEMBL4714110 0.72 LMNA (0.44) MEN1LMNAKMT2AL3MBTL1
SCHEMBL4715635 0.71 POLB (0.52) MEN1LMNAKMT2A
SCHEMBL4715873 0.69 TP53 (0.46) MEN1LMNAKMT2A
SCHEMBL5113137 0.69 HTR6 (0.44) LMNA
SCHEMBL5124227 0.69 SMN1; SMN2 (0.43) LMNAL3MBTL1
SCHEMBL4716315 0.68 ALDH1A1 (0.47) LMNA
SCHEMBL4715863 0.68 CYP3A4 (0.46) MEN1KMT2AL3MBTL1

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
EP-1549648-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS KINASE INHIBITORS Celltech R & D Limited (GB) 2005-07-06 EP disclosed
WO-2004031188-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2004-04-15 WO disclosed