SCHEMBL29089447

SCHEMBL29089447

Cn1nnnc1[S+]([O-])CC(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PTPN1 P18031 1/20 0.41
PKM P14618 1/20 0.41
HTR7 P34969 1/20 0.41
HSD11B1 P28845 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HMGCR P04035 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL29089456 0.88 NPC1 (0.46) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL29089455 0.86 RAB9A (0.44) HSD17B10MAPTALDH1A1HSD11B1SMN1; SMN2
SCHEMBL29089425 0.86 LMNA (0.46) MAPTALDH1A1HSD11B1SMN1; SMN2HTT
SCHEMBL29089466 0.86 PTPN1 (0.46) MAPTALDH1A1PTPN1HSD11B1LMNA
SCHEMBL29089412 0.85 NPC1 (0.42) HSD17B10MAPTALDH1A1HSD11B1SMN1; SMN2
SCHEMBL29089409 0.83 GSK3B (0.46) HSD17B10MAPTALDH1A1NPC1RAB9A
SCHEMBL29089432 0.83 GSK3B (0.48) MAPTALDH1A1HSD11B1LMNARAB9A
SCHEMBL10350150 0.71 CA1 (0.52) MAPTALDH1A1PTPN1HTR7HSD11B1
SCHEMBL4681920 0.69 HMGCR (0.46) USP2HSD17B10MAPTALDH1A1SMN1; SMN2
SCHEMBL11362710 0.68 ALDH1A1 (0.33) HSD17B10ALDH1A1LMNAPOLB

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-116903480-A Method for preparing beta-enaminone based on sulfoxide and aldoxime and beta-enaminone 盐城师范学院 2023-10-20 CN disclosed