SCHEMBL28639280

SCHEMBL28639280

CCCCCCCCOc1cc(Br)cc2c1-c1ccc(Br)cc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
S100A4 P26447 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMPD1 P17405 4/20 0.39
S1PR3 Q99500 1/20 0.39
BCL2 P10415 1/20 0.39

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
SCHEMBL28641666 0.83 S100A4 (0.40) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6474422 0.80 SMN1; SMN2 (0.48) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL28646145 0.78 S100A4 (0.52) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL15025770 0.77 SMN1; SMN2 (0.51) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL1777203 0.75 SMN1; SMN2 (0.52) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL29840690 0.75 SMN1; SMN2 (0.52) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL5441890 0.75 SMN1; SMN2 (0.52) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL20678399 0.75 MEN1 (0.46) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6502119 0.74 SMPD1 (0.52) MAPTNPC1RAB9AL3MBTL1CYSLTR2
SCHEMBL3222619 0.74 CYSLTR2 (0.50) MAPTKMT2AMEN1NPC1RAB9A

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-113387779-A Synthesis and preparation method of fluorenyl compound with 4-position substituent 南京工业大学 2021-09-14 CN disclosed