SCHEMBL8124374

SCHEMBL8124374

Clc1ccc(Oc2cccs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LTA4H P09960 1/20 0.40
RAB9A P51151 3/20 0.39
APP P05067 1/20 0.38
BACE1 P56817 1/20 0.38
PTGS2 P35354 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL8471918 0.89 MGMT (0.37) MAOALTA4HAPPBACE1MAPT
SCHEMBL141870 0.80 LTA4H (0.50) MAOAMAOBLTA4HRAB9AAPP
SCHEMBL9479303 0.79 GAA (0.47) RAB9AMAPTMEN1ALDH1A1KMT2A
SCHEMBL8130697 0.79 MAPT (0.43) MAOAMAOBLTA4HRAB9AAPP
SCHEMBL2876554 0.79 APP (0.33) APPBACE1ALDH1A1HTTL3MBTL1
SCHEMBL3221347 0.79 WDR5 (0.41) RAB9APTGS2ALDH1A1KMT2ACYP1A2
SCHEMBL6159361 0.79 TTR (0.36) LTA4HRAB9AAPPBACE1MEN1
SCHEMBL251357 0.77 MGMT (0.40) RAB9AMAPTMEN1ALDH1A1KMT2A
SCHEMBL7565860 0.75 MGMT (0.33) APPBACE1
SCHEMBL3965732 0.75 ALDH1A1 (0.49) MAPTMEN1ALDH1A1KMT2AKDM4E

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