SCHEMBL22750817

SCHEMBL22750817

NNc1nc(N2CCOCC2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.62
▸ HTT P42858 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PIK3R1 P27986 3/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MTOR P42345 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ AOC3 Q16853 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL22761364 0.80 GAA (0.54) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL1994355 0.77 GAA (1.00) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL9171205 0.75 GAA (0.49) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL21888966 0.73 GAA (0.62) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL1443735 0.71 LMNA (0.61) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL11615257 0.71 LMNA (0.66) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL23590378 0.69 GAA (0.57) GAAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8973821 0.68 HTT (0.63) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL28677082 0.67 LMNA (0.47) GAAHTTKDM4EALDH1A1LMNA
SCHEMBL9418611 0.66 HTT (0.61) GAAHTTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240276957-A1 METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS AGIOS PHARMACEUTICALS, INC. 2024-08-22 — — US disclosed
CN-114174288-A Methods of treatment with aminolevulinic acid synthase 2(ALAS2) modulators 安吉奥斯医药品有限公司 2022-03-11 — — CN disclosed
WO-2020247819-A2 METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2020-12-10 — — WO disclosed
WO-2020247819-A2 METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2020-12-10 — — WO disclosed
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