SCHEMBL30877356

SCHEMBL30877356

CC(C)(O)C#Cc1ccc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ASIC3 Q9UHC3 1/20 0.33
HAO1 Q9UJM8 2/20 0.33
CHUK O15111 1/20 0.32
MAP3K14 Q99558 1/20 0.32
DAO P14920 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1797067 0.77 MCL1 (0.36) DAOHDAC8HDAC6
SCHEMBL27283649 0.73
SCHEMBL8026005 0.69 RARB (0.46) L3MBTL1HTT
SCHEMBL11185622 0.68
SCHEMBL12391039 0.67 ASIC3 (0.50) L3MBTL1ASIC3HAO1MAP3K14HTT
SCHEMBL487465 0.67 MAPT (0.56) L3MBTL1ASIC3HAO1HTT
Dimethylamine SCHEMBL700542 0.67 MAPT (0.51) L3MBTL1ASIC3HAO1HTT
SCHEMBL1797065 0.66 MCL1 (0.36) DAOHDAC8HDAC6
Pivalate SCHEMBL27342904 0.66 MCL1 (0.39)
SCHEMBL5820056 0.65 APP (0.55) HDAC6

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-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed