SCHEMBL29249803

SCHEMBL29249803

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
FFAR1 O14842 9/20 0.34
BTK Q06187 2/20 0.33
CHRM2 P08172 1/20 0.32
S1PR1 P21453 1/20 0.32
FPR1 P21462 1/20 0.32
FPR3 P25089 1/20 0.32
GPR183 P32249 1/20 0.32
APLNR P35414 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GPR65 Q8IYL9 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK3 P27361 1/20 0.31
MMP1 P03956 1/20 0.31

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 0.87 NPC1 (0.43) FFAR1BTKCHRM2S1PR1FPR1
SCHEMBL29249786 0.86 CA12 (0.43) ACACBFFAR1BTKCHRM2S1PR1
SCHEMBL29249778 0.85 APP (0.37) FFAR1BTKCHRM2S1PR1FPR1
SCHEMBL29249801 0.85 LMNA (0.43) ACACBFFAR1BTKCHRM2S1PR1
SCHEMBL29249830 0.82 BCL2A1 (0.46) ACACBFFAR1NPC1RAB9AMEN1
SCHEMBL29249794 0.81 PTPN1 (0.38) ACACBFFAR1BTK
SCHEMBL29249865 0.78 BCL2A1 (0.41) FFAR1BTKMAPK3
SCHEMBL29249832 0.78 MEN1 (0.35) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL29249785 0.78 PTGDR2 (0.42) BTKMAPK3
SCHEMBL31092720 0.77 CHRNB2 (0.42) FFAR1

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