SCHEMBL21110889

SCHEMBL21110889

O=C1c2ccccc2-c2cc(Br)c3c4ccc5c6c(cc(Br)c(c7ccc1c2c73)c64)-c1ccccc1C5=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.50
CYP1A2 P05177 4/20 0.50
HIF1A Q16665 2/20 0.50
GNG2 P59768 1/20 0.50
GNB1 P62873 1/20 0.50
BCL2 P10415 2/20 0.49
PTPRC P08575 4/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.44
PABPC1 P11940 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.43
DNMT1 P26358 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CDC25B P30305 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL27636780 0.93 MAPK1 (0.54) MAPK1CYP1A2HIF1AGNG2GNB1
SCHEMBL13030544 0.80 PTPRC (0.55) MAPK1CYP1A2HIF1ABCL2PTPRC
SCHEMBL78583 0.79 BCL2 (0.55) MAPK1CYP1A2HIF1AGNG2GNB1
SCHEMBL78662 0.79 BCL2 (0.55) MAPK1CYP1A2HIF1AGNG2GNB1
SCHEMBL14089182 0.79 SMN1; SMN2 (0.56) MAPK1CYP1A2HIF1AGNG2GNB1
SCHEMBL28268695 0.76 CYP1A2 (0.50) MAPK1CYP1A2HIF1AGNG2GNB1
SCHEMBL9012650 0.76 PTPRC (0.49) MAPK1CYP1A2HIF1AGNG2GNB1
SCHEMBL31120783 0.76 PTPRC (0.49) MAPK1CYP1A2HIF1AGNG2GNB1
Anthraquinone SCHEMBL4307959 0.75 BCL2 (0.60) MAPK1CYP1A2HIF1AGNG2GNB1
SCHEMBL88058 0.75 BCL2 (0.60) MAPK1CYP1A2HIF1AGNG2GNB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112469772-A Wrap film and wrap film container 昭和电工材料株式会社 2021-03-09 CN disclosed
WO-2020027188-A1 CLING FILM AND CLING FILM STORAGE BODY 日立化成株式会社 2020-02-06 WO disclosed
EP-3508070-A1 FILM FOR FOOD PACKAGING, FILM CONTAINER, AND FOOD PROVIDING METHOD Hitachi Chemical Company, Ltd. (JP) 2019-07-10 EP disclosed