SCHEMBL31154504

SCHEMBL31154504

O=C1c2ccccc2-c2c(Cl)cc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.54
S100A4 P26447 2/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CDC25B P30305 1/20 0.50
DNMT1 P26358 2/20 0.48
IDO1 P14902 1/20 0.48
DNMT3L Q9UJW3 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
HSP90AA1 P07900 1/20 0.47
PTPRC P08575 3/20 0.46
PTPN1 P18031 1/20 0.46
ITGA1 P56199 1/20 0.45
BCL2 P10415 3/20 0.44
MCL1 Q07820 3/20 0.44
ADORA2A P29274 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL16870940 1.00 TTR (0.54) TTRS100A4MEN1KMT2ACDC25B
SCHEMBL6905214 0.92 TTR (0.64) TTRS100A4MEN1KMT2ACDC25B
SCHEMBL5681748 0.84 CES1 (0.52) TTRS100A4MEN1KMT2ADNMT1
SCHEMBL8987675 0.83 HSP90AA1 (0.67) TTRS100A4DNMT1HSP90AA1PTPRC
SCHEMBL1712245 0.82 ELANE (0.55) TTRMEN1KMT2ACDC25BDNMT1
SCHEMBL1712777 0.82 TTR (0.50) TTRS100A4MEN1KMT2ACDC25B
SCHEMBL16107097 0.82 BCL2 (0.62) TTRMEN1KMT2ACDC25BDNMT1
SCHEMBL29164293 0.82 TTR (0.50) TTRS100A4MEN1KMT2ACDC25B
SCHEMBL22233096 0.80 S100A4 (0.50) TTRS100A4MEN1KMT2ACDC25B
SCHEMBL1712771 0.80 TTR (0.51) TTRS100A4MEN1KMT2ACDC25B

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-118812412-A Preparation method of spirotrienone and coumarin and derivatives thereof 黄淮学院 2024-10-22 CN disclosed