SCHEMBL3722045

SCHEMBL3722045

CCCOc1ccc(Oc2ccc3cc(NCC)ccc3n2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
NCF1 P14598 4/20 0.35
TLR8 Q9NR97 1/20 0.34
HPSE Q9Y251 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL3721856 0.93 MAPT (0.37) MAPTLMNAMAPK1HIF1ATLR8
SCHEMBL3717500 0.91 MAPT (0.39) MAPTMAPK1NCF1KDM4EMEN1
SCHEMBL3720645 0.88 MAPT (0.39) MAPTLMNAMAPK1HIF1ANCF1
SCHEMBL3718572 0.87 PNLIP (0.40) MAPTLMNAMAPK1HIF1ANCF1
SCHEMBL3720292 0.85 MAPT (0.41) MAPTLMNAMAPK1HIF1ANCF1
SCHEMBL3718483 0.85 MAPT (0.38) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL3726082 0.85 MAPT (0.37) MAPTMAPK1HPSEKDM4EMEN1
SCHEMBL3719458 0.83 PARP15 (0.37) MAPT
SCHEMBL3717278 0.82 CSNK2A1 (0.39) MAPTMAPK1TLR8KDM4EMEN1
SCHEMBL3718569 0.82 MAPT (0.37) MAPTLMNATLR8MEN1POLB

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