SCHEMBL8116152

SCHEMBL8116152

Brc1ccc(Oc2[c]cccc2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
LTA4H P09960 2/20 0.31
CYP2A6 P11509 1/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA1 P00915 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 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
SCHEMBL11140990 0.86 LTA4H (0.42) MAPTALDH1A1TSHRMAOAMAOB
SCHEMBL8121449 0.85 LTA4H (0.44) MAPTALDH1A1LTA4HCA2CA9
SCHEMBL8129500 0.78 MAPK8 (0.36) MAPTSLC6A4MAOBLTA4HPTGS2
SCHEMBL8116593 0.75 ALDH1A1 (0.44) MAPTSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8129484 0.74 LMNA (0.47) ALDH1A1LTA4H
SCHEMBL8124883 0.72 ABCG2 (0.40) MAPTSLC6A2SLC6A4SLC6A3CES2
SCHEMBL1068357 0.71
SCHEMBL1532077 0.71 MAPT (0.42) MAPTSLC6A2SLC6A4SLC6A3CES2
SCHEMBL8135193 0.70 SLC6A2 (0.38) MAPTSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL3843978 0.68 MAPT (0.74) MAPTSLC6A2SLC6A4SLC6A3CES2

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-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed