SCHEMBL23632913

SCHEMBL23632913

Cn1c(CCC#N)nc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 4/20 0.38
HTT P42858 4/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
NOD2 Q9HC29 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
HDAC1 Q13547 1/20 0.37
PDE10A Q9Y233 3/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL29837910 1.00 MAPT (0.41) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL23638355 0.84 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15111986 0.82 PPARG (0.46) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL15111989 0.81 MAPT (0.38) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL30173147 0.81 MAPT (0.43) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL17673776 0.81 MAPT (0.43) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL23638268 0.81 MAPT (0.43) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL31588703 0.79 MAPT (0.46) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL31473684 0.79 MAPT (0.46) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL15111868 0.79 MAPT (0.46) MAPTUSP2MAPK1NPC1RAB9A

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
CN-114901664-B Pyridone compounds and uses thereof 南京再明医药有限公司 2024-07-02 CN disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 CN disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed