SCHEMBL3719337

SCHEMBL3719337

CCCSc1ccc(Oc2ccc3cc(NCC)ccc3n2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 6/20 0.36
MAPK1 P28482 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PGK1 P00558 4/20 0.33
GSK3B P49841 1/20 0.33
MAP4K2 Q12851 1/20 0.33
BCL6 P41182 1/20 0.32
AR P10275 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
SCHEMBL3720475 0.86 HTT (0.37) HPGDGAAHTTATML3MBTL1
SCHEMBL3718572 0.83 PNLIP (0.40) HPGDGAAHTTATML3MBTL1
SCHEMBL3720104 0.81 ACACB (0.43) HPGDGAAHTTATML3MBTL1
SCHEMBL3726168 0.80 PDE4B (0.41) HPGDHTTL3MBTL1MAPTMAPK1
SCHEMBL3726169 0.80 HPGD (0.34) HPGDHTTL3MBTL1MAPTMAPK1
SCHEMBL3719341 0.80 SMN1; SMN2 (0.47) HPGDATMMAPK1LMNATP53
SCHEMBL3717278 0.80 CSNK2A1 (0.39) HPGDGAAHTTATML3MBTL1
SCHEMBL3726861 0.79 MAPT (0.32) HPGDGAAHTTATML3MBTL1
SCHEMBL3720773 0.79 P2RX3 (0.41) HPGDGAAHTTATML3MBTL1
SCHEMBL3725385 0.77 MAPT (0.43) HPGDGAAHTTATML3MBTL1

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