SCHEMBL28909103

SCHEMBL28909103

COC(=O)c1cnc2ccnc(C(=O)OC)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 5/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
PSMD14 O00487 1/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.40
JMJD6 Q6NYC1 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
DYRK1A Q13627 1/20 0.39
PAX8 Q06710 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL22049082 0.80 L3MBTL1 (0.55) KDM4EL3MBTL1ALOX15HTTPSMD14
SCHEMBL23112595 0.76 PSMD14 (0.48) MAPK1KDM4EL3MBTL1ALOX15HTT
SCHEMBL2199238 0.76 PSMD14 (0.48) MAPK1KDM4EL3MBTL1ALOX15HTT
SCHEMBL31606412 0.75 PSMD14 (0.47) MAPK1KDM4EL3MBTL1ALOX15HTT
SCHEMBL31413421 0.75 MAPK1 (0.44) MAPK1KDM4EL3MBTL1ALOX15HTT
SCHEMBL27141675 0.75 MAPK1 (0.44) MAPK1KDM4EL3MBTL1ALOX15HTT
SCHEMBL23112645 0.75 PSMD14 (0.47) MAPK1KDM4EL3MBTL1ALOX15HTT
SCHEMBL2201313 0.75 ALPL (0.47) MAPK1KDM4EL3MBTL1ALOX15HTT
SCHEMBL12076107 0.74 ALOX15 (0.54) MAPK1KDM4EKDM6BKDM5CKDM4C
SCHEMBL23535787 0.74 LCK (0.55) MAPK1KDM4EKDM6BKDM5CKDM4C

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
CN-115448919-A Marine-derived naphthyridine anti-inflammatory active compound and preparation method thereof 滨州医学院附属医院 2022-12-09 CN disclosed