SCHEMBL30065536

SCHEMBL30065536

COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cc2ccc(F)cc2C)ccn1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 3/20 0.62
SCN10A Q9Y5Y9 7/20 0.49
SCN8A Q9UQD0 5/20 0.45
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL28928647 1.00 SORT1 (0.62) SORT1SCN10ASCN8AHDAC4HDAC6
SCHEMBL28651365 0.85 SORT1 (0.48) SORT1SCN10AHDAC4HDAC6
SCHEMBL30065560 0.85 SORT1 (0.48) SORT1SCN10AHDAC4HDAC6
SCHEMBL22852836 0.83 SORT1 (0.63) SORT1SCN10ASCN8AHDAC4HDAC6
SCHEMBL30294517 0.83 SORT1 (0.63) SORT1SCN10ASCN8AHDAC4HDAC6
SCHEMBL22502631 0.83 SCN10A (0.66) SORT1SCN10ASCN8A
SCHEMBL23099928 0.80 LRRK2 (0.56) LRRK2
SCHEMBL15901600 0.80 SORT1 (0.78) SORT1SCN10ASCN8AHDAC4HDAC6
SCHEMBL30065546 0.79 SCN8A (0.68) SCN10ASCN8A
SCHEMBL28661344 0.79 SCN8A (0.68) SCN10ASCN8A

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-112996774-B 2-oxo-1,2-dihydropyridine derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed