SCHEMBL14391010

SCHEMBL14391010

N#Cc1ccc(Oc2nc(-c3cccs3)cc(-c3ccoc3)c2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 6/20 0.43
▸ HPGD P15428 5/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ADORA2A P29274 5/20 0.42
▸ ADORA1 P30542 5/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ KDM4E B2RXH2 8/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL13545963 0.90 ALDH1A1 (0.50) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL14391000 0.83 ADORA2A (0.60) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL14391004 0.81 MAPT (0.45) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL14390996 0.81 ADORA2A (0.39) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL3577981 0.78 KMT2A (0.47) ALDH1A1MAPTHPGDL3MBTL1ADORA2A
SCHEMBL14392510 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL14391005 0.78 ADORA2A (0.40) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL13545953 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDL3MBTL1ADORA2A
SCHEMBL3586886 0.76 ALDH1A1 (0.48) ALDH1A1MAPTHPGDL3MBTL1ATM
SCHEMBL13545962 0.76 ADORA2A (0.64) ALDH1A1MAPTHPGDL3MBTL1MAPK1

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
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO disclosed
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