SCHEMBL6513229

SCHEMBL6513229

COc1ccc(Sc2cc(Nc3cccc(F)c3)nc(N(Cc3ccco3)C(=O)[C@@H](N)CC(C)C)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 3/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 2/20 0.34
APEX1 P27695 1/20 0.33
PKM P14618 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 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
SCHEMBL6530876 0.88 MAPT (0.38) ALDH1A1SMN1; SMN2HPGDPOLBMAPT
SCHEMBL6510162 0.85 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2HPGDPOLBMAPT
SCHEMBL6513021 0.83 PDE10A (0.35) ALDH1A1SMN1; SMN2HPGDMAPTL3MBTL1
SCHEMBL6513922 0.83 TDP1 (0.38) ALDH1A1SMN1; SMN2HPGDMAPTTSHR
SCHEMBL6527853 0.81 HTR3E (0.34) SMN1; SMN2POLBL3MBTL1
SCHEMBL6508234 0.78 HPGD (0.37) ALDH1A1SMN1; SMN2HPGDPOLBMAPT
SCHEMBL6510069 0.78 HPGD (0.39) ALDH1A1SMN1; SMN2HPGDPOLBMAPT
SCHEMBL6510073 0.78 HPGD (0.39) ALDH1A1SMN1; SMN2HPGDPOLBMAPT
SCHEMBL6513225 0.78 HPGD (0.42) ALDH1A1SMN1; SMN2HPGDPOLBMAPT
SCHEMBL6514102 0.77 HPGD (0.40) ALDH1A1SMN1; SMN2HPGDPOLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO claimed
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed