SCHEMBL6005337

SCHEMBL6005337

c1ccc(-c2nc3ncccc3cc2Oc2ncnc3ccsc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
MET P08581 4/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
NR2C2 P49116 1/20 0.33
TAB1 Q15750 1/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
AXL P30530 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33

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
SCHEMBL6005342 0.84 MET (0.42) MAPTMETADORA2AADORA1KDR
SCHEMBL6004268 0.83 ALDH1A1 (0.58) ALDH1A1HTTNR2C2TAB1KIT
SCHEMBL13605215 0.80 LCK (0.49) METAURKBEGFRKDRKDM1A
SCHEMBL6004712 0.80 PRNP (0.43) ALDH1A1MAPTHTTAURKBMKNK2
SCHEMBL6003009 0.80 MAT2A (0.43) ALDH1A1MAPTAURKBEGFRDHODH
SCHEMBL6004877 0.79 KDM4E (0.46) ALDH1A1L3MBTL1EGFRKDRFLT3
SCHEMBL6004750 0.77 MRGPRX1 (0.53) ALDH1A1MAPTHTTMETADORA2A
SCHEMBL6004312 0.74 MRGPRX1 (0.56) MAPTHTT
SCHEMBL6004714 0.72 TGFBR1 (0.46) METADORA2AADORA1EGFRKIT
SCHEMBL6005041 0.70 IKBKB (0.39) MAPTMETEGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed