SCHEMBL7560076

SCHEMBL7560076

Cc1ccc(F)cc1C1CC(=O)C=C(N)C1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ACHE P22303 1/20 0.35
SLC9A1 P19634 4/20 0.34
SLC9A2 Q9UBY0 4/20 0.34
SLC9A3 P48764 2/20 0.34
HTR7 P34969 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL6797058 0.75 L3MBTL1 (0.42) L3MBTL1SLC9A1SLC9A2SLC9A3HTR7
SCHEMBL12958096 0.68 SLC9A1 (0.45) L3MBTL1ACHESLC9A1SLC9A2SLC9A3
SCHEMBL7561823 0.67 TP53 (0.44)
SCHEMBL6794592 0.66 SLC9A1 (0.43) L3MBTL1ACHESLC9A1SLC9A2SLC9A3
SCHEMBL12958098 0.64 HTR7 (0.35) L3MBTL1ACHESLC9A1SLC9A2SLC9A3
SCHEMBL10034989 0.63 OPRL1 (0.44) SLC9A1SLC9A2SLC9A3
SCHEMBL11830644 0.63 PTGDR2 (0.38) SLC9A1SLC9A2SLC9A3HTR7
SCHEMBL14157914 0.61 SLC6A2 (0.38) SLC9A1SLC9A2SLC9A3
SCHEMBL7682913 0.60 SRD5A1 (0.38) L3MBTL1TDP1KMT2ANPC1
SCHEMBL28464976 0.60 PTGDR2 (0.48) SLC9A1SLC9A2SLC9A3

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
EP-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP claimed
EP-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed