SCHEMBL29033745

SCHEMBL29033745

N=C(N)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.41
CHRM1 P11229 1/20 0.41
F2 P00734 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 1/20 0.38
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
CBX7 O95931 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 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
SCHEMBL1837999 0.81 L3MBTL3 (0.47) L3MBTL3L3MBTL1LMNAKDM4EALDH1A1
SCHEMBL5779438 0.81 L3MBTL3 (0.55) L3MBTL3L3MBTL1LMNACHRM1KDM4E
Hydrochloric Acid SCHEMBL4408453 0.80 F2 (0.54) L3MBTL3L3MBTL1CHRM1F2
SCHEMBL1175599 0.79
Hydrochloric Acid SCHEMBL1015413 0.77 LMNA (0.58) LMNAF2KDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL244762 0.77 LMNA (0.58) L3MBTL1LMNAF2KDM4EALDH1A1
Iodide SCHEMBL11098499 0.77 LMNA (0.58) L3MBTL1LMNAF2KDM4EALDH1A1
SCHEMBL27586072 0.77
SCHEMBL27991280 0.76 L3MBTL3 (0.58) L3MBTL3L3MBTL1LMNAKDM4EALDH1A1
Iodide SCHEMBL7280658 0.75 F2 (0.46) CHRM1F2CPN1CPB2

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
CN-116178345-B Substituted pyrimidinyl-pyridinyl-pyridone compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-08-13 CN disclosed
CN-116178345-A Substituted pyrimidinyl-pyridinyl-pyridone compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-05-30 CN disclosed