SCHEMBL3362947

SCHEMBL3362947

CCc1cccc(C(=O)C(Br)Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.51
BCL2 P10415 1/20 0.46
KAT6A Q92794 2/20 0.44
SMYD3 Q9H7B4 1/20 0.44
CNR2 P34972 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
PTGS2 P35354 1/20 0.42
SLC7A5 Q01650 1/20 0.41
FOLH1 Q04609 1/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 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
SCHEMBL7756387 0.88 BCL2 (0.49) BCL2KAT6ASMYD3CNR2LOXL2
SCHEMBL19707742 0.88 BCL2 (0.45) GSK3BBCL2KAT6ASMYD3CNR2
SCHEMBL7107879 0.84 BCL2 (0.47) BCL2KAT6ASMYD3CNR2LOXL2
SCHEMBL10277237 0.84 BCL2 (0.47) BCL2KAT6ASMYD3CNR2LOXL2
SCHEMBL19707680 0.83 BCL2 (0.42) BCL2KAT6ASMYD3CNR2LOXL2
SCHEMBL11062513 0.82 BCL2 (0.46) BCL2KAT6ASMYD3CNR2LOXL2
SCHEMBL8099947 0.81 BCL2 (0.51) BCL2KAT6ASMYD3CNR2LOXL2
SCHEMBL9041418 0.81 SMYD3 (0.47) BCL2KAT6ASMYD3CNR2LOXL2
SCHEMBL8400086 0.81 SMYD3 (0.47) BCL2KAT6ASMYD3CNR2LOXL2
SCHEMBL11611076 0.79 CNR2 (0.62) BCL2KAT6ASMYD3CNR2LOXL2

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