SCHEMBL28923701

SCHEMBL28923701

O=C(O)c1cc(F)ccc1C1CCCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.42
KEAP1 Q14145 1/20 0.41
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL454756 0.84 PRKAB2 (0.40) PARP1KEAP1PRKAB2PRKAG1PRKAA2
SCHEMBL21835399 0.84 PRKAB2 (0.40) PARP1KEAP1PRKAB2PRKAG1PRKAA2
SCHEMBL28965423 0.83 PARP1 (0.40) PARP1PARP2PRKAB2PRKAG1PRKAA2
SCHEMBL28288790 0.83 KDM4E (0.41) PARP1PIM1PRKAB2PRKAG1PRKAA2
SCHEMBL28288776 0.82 LIPG (0.45) MEN1KMT2APTGDR2
SCHEMBL27992014 0.79 ALDH1A1 (0.46) KMT2A
SCHEMBL1765144 0.79 MEN1 (0.42) MEN1KMT2A
SCHEMBL30423645 0.79 MEN1 (0.42) MEN1KMT2A
SCHEMBL18863213 0.79 PTGDR2 (0.51) KEAP1PTGDR2
SCHEMBL31444311 0.76 HTR2A (0.41) MEN1KMT2A

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-109678815-B N-benzyl benzamide derivative and preparation method and pharmaceutical application thereof 中国药科大学 2022-11-29 CN disclosed