SCHEMBL30454930

SCHEMBL30454930

c1ccc2c(N3CCCC3)nc(N3CCCC3)nc2c1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.97
HPGD P15428 4/20 0.97
GLA P06280 3/20 0.97
GAA P10253 3/20 0.97
HSD17B10 Q99714 3/20 0.97
TSHR P16473 3/20 0.97
KDM4E B2RXH2 7/20 0.80
ALDH1A1 P00352 6/20 0.80
ACP1 P24666 2/20 0.66
ATM Q13315 2/20 0.65
MAPK1 P28482 2/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
LMNA P02545 3/20 0.64
HTT P42858 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALOX15 P16050 1/20 0.64
GBA1 P04062 1/20 0.62
TLR7 Q9NYK1 1/20 0.62
USP2 O75604 1/20 0.59

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
SCHEMBL11738679 1.00 L3MBTL1 (0.97) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL1090785 0.98 L3MBTL1 (1.00) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL1091130 0.98 L3MBTL1 (1.00) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3639719 0.91 L3MBTL1 (0.85) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3675539 0.88 L3MBTL1 (0.80) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3642537 0.87 L3MBTL1 (0.78) L3MBTL1HPGDGLAGAAHSD17B10
Hydrochloric Acid SCHEMBL3670729 0.86 L3MBTL1 (0.78) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL11738520 0.85 ALDH1A1 (0.97) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3641129 0.85 L3MBTL1 (0.74) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3637720 0.84 L3MBTL1 (0.69) L3MBTL1HPGDGLAGAAHSD17B10

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-2023121429-A1 NOVEL COMPOUND FOR IMPROVING SLEEP OR USE THEREOF 아주대학교산학협력단 2023-06-29 WO disclosed