SCHEMBL29249778

SCHEMBL29249778

C=CC(=O)N(C)c1ccccc1C#Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
FFAR1 O14842 11/20 0.36
BTK Q06187 4/20 0.35
FFAR4 Q5NUL3 2/20 0.33
CHRM2 P08172 1/20 0.33
S1PR1 P21453 1/20 0.33
FPR1 P21462 1/20 0.33
FPR3 P25089 1/20 0.33
GPR183 P32249 1/20 0.33
APLNR P35414 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
BCL2A1 Q16548 1/20 0.33

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
SCHEMBL29249809 0.89 NPC1 (0.43) APPFFAR1BTKFFAR4CHRM2
SCHEMBL29249786 0.88 CA12 (0.43) FFAR1BTKFFAR4CHRM2S1PR1
SCHEMBL29249801 0.87 LMNA (0.43) FFAR1BTKFFAR4CHRM2S1PR1
SCHEMBL29249794 0.86 PTPN1 (0.38) FFAR1BTK
SCHEMBL29249830 0.85 BCL2A1 (0.46) APPFFAR1NPC1RAB9ABCL2A1
SCHEMBL29249803 0.85 ACACB (0.38) FFAR1BTKFFAR4CHRM2S1PR1
SCHEMBL29249874 0.80 FFAR1 (0.42) FFAR1BTKBCL2A1
SCHEMBL29249865 0.80 BCL2A1 (0.41) FFAR1BTKBCL2A1
SCHEMBL29249785 0.80 PTGDR2 (0.42) BTKBCL2A1
SCHEMBL29249832 0.80 MEN1 (0.35) BTKNPC1RAB9A

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-118324695-A Method for selectively preparing quinoline-2-ketone or 3, 4-dihydro-quinoline-2-ketone compound under regulation of photocatalyst 浙江工业大学 2024-07-12 CN disclosed