SCHEMBL28443125

SCHEMBL28443125

CCCCC1=Cc2ccc(Cl)c(OCC)c2OC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
MET P08581 1/20 0.30
KIT P10721 1/20 0.30
FGFR1 P11362 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28439707 0.76 TP53 (0.41) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28439711 0.63 KDM4E (0.32)
SCHEMBL20852284 0.62 AHR (0.34) METKITFGFR1SRCKDR
SCHEMBL4530542 0.62 ALOX5 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL5954140 0.58 MEN1 (0.37) ALDH1A1
SCHEMBL5954196 0.58 DRD3 (0.33) HTTSMN1; SMN2
SCHEMBL1547567 0.58 L3MBTL1 (0.59) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL10762036 0.56 L3MBTL1 (0.38) ALDH1A1MAPK1HTTL3MBTL1
SCHEMBL7303716 0.56 HIF1A (0.43) ALDH1A1MAPK1
SCHEMBL9422903 0.56 HIF1A (0.43) ALDH1A1MAPK1

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-111417396-A Methods of treating cancer with small molecule NF-kB inhibitors 免疫目标公司 2020-07-14 CN disclosed