SCHEMBL807525

SCHEMBL807525

C[C@@H]1CN(Cc2cc(N)nc(Cl)n2)C[C@H](C)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
LMNA P02545 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2A13 Q16696 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SLC2A1 P11166 2/20 0.38
HDAC6 Q9UBN7 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
ADORA2A P29274 1/20 0.35

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
SCHEMBL797884 0.77 GAA (0.47) ATMLMNAGAAKDM4EHSD17B10
SCHEMBL797883 0.77 GAA (0.47) ATMLMNAGAAKDM4EHSD17B10
SCHEMBL27238712 0.77 ATM (0.48) ATMLMNAGAAKDM4EHSD17B10
SCHEMBL27238707 0.77 ATM (0.48) ATMLMNAGAAKDM4EHSD17B10
SCHEMBL19229780 0.75 SMN1; SMN2 (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29632582 0.74 GAA (0.40) ATMLMNAGAAKDM4EHSD17B10
SCHEMBL20908944 0.71 LMNA (0.53) ATMLMNAGAAKDM4EHSD17B10
SCHEMBL28543133 0.70 KDM4E (0.50) ATMLMNAGAAKDM4EHSD17B10
SCHEMBL26604074 0.68 GAA (0.45) ATMLMNAGAAKDM4EHSD17B10
SCHEMBL12156566 0.67 KDM4E (0.53) LMNAGAAKDM4ETDP1HTT

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-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed