SCHEMBL28512682

SCHEMBL28512682

O=C(O)c1ccnc2c(C(=O)O)ccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
KDM4A O75164 3/20 0.57
EGLN1 Q9GZT9 2/20 0.57
RAB9A P51151 1/20 0.57
HIF1AN Q9NWT6 1/20 0.57
ASPH Q12797 1/20 0.54
KDM8 Q8N371 1/20 0.54
KDM4C Q9H3R0 4/20 0.53
KDM5A P29375 2/20 0.53
PSMD14 O00487 1/20 0.53
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM6B O15054 2/20 0.47
KDM4D Q6B0I6 2/20 0.47
KDM6A O15550 1/20 0.47
TET3 O43151 1/20 0.47
KDM4B O94953 1/20 0.47
KDM5C P41229 1/20 0.47
TET2 Q6N021 1/20 0.47

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
SCHEMBL10464797 0.86 CYP1A2 (0.54) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL29841881 0.86 KDM4E (0.50) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL15762405 0.84 KDM4E (0.49) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL1088793 0.83 KDM4E (0.67) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL14574794 0.82 NAPRT (0.46) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL69905 0.81 KDM4E (0.74) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL2455911 0.81 KDM4E (0.52) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL15758596 0.81 KDM5A (0.47) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL25097311 0.78 KDM4E (0.46) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL11684719 0.78 CYP1A2 (0.50) KDM4EL3MBTL1KDM4AEGLN1RAB9A

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-112321490-A Auxiliary agent and preparation method thereof 宿迁联盛科技股份有限公司 2021-02-05 CN claimed
CN-112321490-A Auxiliary agent and preparation method thereof 宿迁联盛科技股份有限公司 2021-02-05 CN disclosed