SCHEMBL3720570

SCHEMBL3720570

[c]1ccc2nc(Oc3ccc(NCC4CC4)cc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
MET P08581 1/20 0.31
ALOX5 P09917 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL3728071 0.75 MET (0.33) ACHEBACE1METSCN9A
SCHEMBL3719936 0.75 MET (0.35) ACHEBACE1METALOX5EGLN1
SCHEMBL3317518 0.74 HTT (0.45) KDM4EALDH1A1MAPK1SCN9A
SCHEMBL4655065 0.73 HTT (0.45) KDM4EALDH1A1MAPTMAPK1EGLN1
SCHEMBL13583086 0.70 MEN1 (0.34) ALDH1A1GAAMAPTALOX5
SCHEMBL13076464 0.70 ACACA (0.48)
SCHEMBL3717406 0.70 ACACB (0.35)
SCHEMBL1615309 0.68 CARM1 (0.39) ACHEBACE1KDM4EALDH1A1GAA
SCHEMBL3720567 0.67 KDM4E (0.34) ACHEBACE1KDM4EALDH1A1GAA
SCHEMBL3720087 0.65 MAPT (0.38) KDM4EMAPT

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