SCHEMBL3718569

SCHEMBL3718569

CCNc1ccc2nc(Oc3ccc(OC(C)C)c(Br)c3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
P2RX3 P56373 6/20 0.35
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN7A Q01118 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 2/20 0.32
TLR8 Q9NR97 1/20 0.32
PDE4B Q07343 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 2/20 0.31
POLB P06746 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CDK6 Q00534 1/20 0.31
PGK1 P00558 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3718483 0.93 MAPT (0.38) MAPTP2RX3BLML3MBTL1MEN1
SCHEMBL3720742 0.89 MAPT (0.37) MAPTP2RX3BLML3MBTL1SCN7A
SCHEMBL3719433 0.89 MAPT (0.39) MAPTBLML3MBTL1SCN7AKCNH2
SCHEMBL3719949 0.88 RORC (0.39) MAPTP2RX3L3MBTL1KCNH2HTT
SCHEMBL3726082 0.88 MAPT (0.37) MAPTBLML3MBTL1SCN7AKCNH2
SCHEMBL3721856 0.87 MAPT (0.37) MAPTBLML3MBTL1SCN7AKCNH2
SCHEMBL3726852 0.86 P2RX3 (0.43) MAPTP2RX3BLML3MBTL1KMT2A
SCHEMBL3717622 0.85 MAPT (0.32) MAPTP2RX3TLR8
SCHEMBL3720126 0.84 CRHR1 (0.39) MAPTP2RX3PGK1
SCHEMBL3717500 0.83 MAPT (0.39) MAPTBLMMEN1KMT2ANPSR1

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed