SCHEMBL6507666

SCHEMBL6507666

COc1ccc(Sc2cc(Cl)nc(N[C@@H](CC(C)C)C(=O)NCC3CCCO3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 4/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL6531846 0.87 HPGD (0.44) HPGDSMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL6512023 0.85 ALDH1A1 (0.40) HPGDSMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL6513920 0.84 CTSK (0.40) HPGDSMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL6511358 0.80 NPR3 (0.45) MAPT
SCHEMBL6511364 0.80 NPR3 (0.45) MAPT
SCHEMBL6510400 0.74 HPGD (0.44) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL6507668 0.74 KMT2A (0.41) HPGDSMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL6531904 0.70 HPGD (0.46) HPGDSMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL6513091 0.70 HPGD (0.46) HPGDSMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL6507865 0.68 HTT (0.41) HPGDSMN1; SMN2L3MBTL1MAPTALDH1A1

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 disclosed
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