SCHEMBL3397248

SCHEMBL3397248

Cc1cccc(C)c1C(=O)C(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
GSK3B P49841 5/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 2/20 0.35
GPR52 Q9Y2T5 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TRPA1 O75762 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MYC P01106 1/20 0.34

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
SCHEMBL13425659 0.83 L3MBTL1 (0.38) L3MBTL1TDP1GSK3BALDH1A1KDM4E
SCHEMBL10137794 0.79 FFAR1 (0.45) L3MBTL1TDP1ALDH1A1KDM4EHPGD
SCHEMBL3362986 0.77 ESR1 (0.49) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28629683 0.76 SLC6A2 (0.49) GSK3BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27573925 0.76 L3MBTL1 (0.39) L3MBTL1TDP1ALDH1A1KDM4EHPGD
SCHEMBL5994217 0.76 L3MBTL1 (0.39) L3MBTL1TDP1ALDH1A1KDM4EHPGD
SCHEMBL9356340 0.74 L3MBTL1 (0.42) L3MBTL1TDP1ALDH1A1KDM4EHPGD
SCHEMBL6468660 0.74 L3MBTL1 (0.38) L3MBTL1TDP1ALDH1A1KDM4EHPGD
SCHEMBL6113407 0.73 L3MBTL1 (0.44) L3MBTL1TDP1ALDH1A1KDM4EHPGD
SCHEMBL30501572 0.72 L3MBTL1 (0.37) L3MBTL1TDP1ALDH1A1KDM4EHPGD

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed