SCHEMBL4969655

SCHEMBL4969655

COC(=O)c1ccc(CBr)s1.COC(=O)c1ncccc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
PARP1 P09874 2/20 0.40
MPO P05164 1/20 0.38
EPHX2 P34913 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
P2RY1 P47900 1/20 0.36
PKM P14618 1/20 0.35
CYP1A2 P05177 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
SCHEMBL1979301 0.85 L3MBTL1 (0.55) L3MBTL1PARP1MPONPSR1LMNA
SCHEMBL30036150 0.85 L3MBTL1 (0.55) L3MBTL1PARP1MPONPSR1LMNA
SCHEMBL348559 0.81 LMNA (0.51) L3MBTL1MRGPRX4PARP1NPSR1LMNA
SCHEMBL29784403 0.79 L3MBTL1 (0.49) L3MBTL1PARP1MPOKDM4EMAPT
SCHEMBL27729389 0.74 L3MBTL1 (0.53) L3MBTL1PARP1MPOLMNAHPGD
SCHEMBL535668 0.74 L3MBTL1 (0.58) L3MBTL1PARP1MPONPSR1HPGD
SCHEMBL28677368 0.72 L3MBTL1 (0.57) L3MBTL1PARP1MPOHPGDKDM4E
SCHEMBL3369457 0.72 BRD4 (0.57) KDM4EMAPTTSHRCYP1A2BRD4
SCHEMBL9202046 0.72 MAPT (0.41) L3MBTL1PARP1NPSR1LMNAHPGD
SCHEMBL25414723 0.71 L3MBTL1 (0.55) L3MBTL1PARP1MPONPSR1LMNA

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-2008115281-A2 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INC. (US) 2008-09-25 WO disclosed