SCHEMBL8095477

SCHEMBL8095477

Brc1ncc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
INSR P06213 1/20 0.38

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
SCHEMBL1821593 0.78 ADORA1 (0.44) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL4327679 0.77 NPC1 (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL15684068 0.77 MAPK1 (0.44) MAPK1ALDH1A1NPC1RAB9AMEN1
SCHEMBL1683245 0.75 LRRK2 (0.42) MAPK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10205854 0.75 MEN1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3799864 0.75 NPC1 (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3719157 0.73 MAPK1 (0.44) MAPK1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL28108914 0.71 PLK4 (0.53) MAPK1ALDH1A1NPC1RAB9AMEN1
SCHEMBL14030752 0.71 NR1H2 (0.42) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL29184327 0.70 MAPK1 (0.50) MAPK1ALDH1A1NPC1RAB9AMEN1

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
JP-2000169448-A NEW AMINO COMPOUND AND ITS PRODUCTION, AND USE MINOLTA CO LTD 2000-06-20 JP disclosed