SCHEMBL8945357

SCHEMBL8945357

NC(=O)c1ccnc(C(N)=O)c1CCO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ASPH Q12797 5/20 0.36
KDM8 Q8N371 5/20 0.36
PARP1 P09874 1/20 0.34
BRAF P15056 2/20 0.34
SIRT1 Q96EB6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CDC7 O00311 1/20 0.32
LRRK2 Q5S007 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PIK3CB P42338 1/20 0.31
CSNK1A1 P48729 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL241097 0.83 KDM4E (0.38) KDM4EL3MBTL1PARP1SIRT1ALDH1A1
SCHEMBL3677819 0.83 BRAF (0.34) KDM4EBRAFLRRK2
SCHEMBL27699318 0.81 NOS2 (0.41) KDM4EBRAFSIRT3TDP1LRRK2
SCHEMBL8842626 0.81 KDM4E (0.40) KDM4EL3MBTL1ASPHKDM8PARP1
SCHEMBL19439176 0.81 CCNC (0.41) KDM4EL3MBTL1ASPHKDM8PARP1
SCHEMBL29421066 0.77 SIRT1 (0.39) KDM4EPARP1SIRT1ALDH1A1HPGD
SCHEMBL7109139 0.77 SIRT1 (0.39) KDM4EPARP1SIRT1ALDH1A1HPGD
SCHEMBL8321873 0.74 KDM4E (0.47) KDM4EL3MBTL1ASPHKDM8PARP1
SCHEMBL27800518 0.74 SIRT1 (0.47) KDM4EPARP1SIRT1ALDH1A1HPGD
SCHEMBL28972443 0.72 ASPH (0.41) KDM4EASPHKDM8

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-112204009-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-05-07 CN disclosed
US-5519038-A ENZYME INHIBITORS SUITABLE AS FIBROSUPPRESSANTS AND IMMUNOSUPPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-21 US disclosed