SCHEMBL21655330

SCHEMBL21655330

C=c1c(C(N)=O)ccc(-c2ccc(C(N)=O)cc2C(C)(C)C)c1=C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ SLC22A12 Q96S37 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ JAK2 O60674 1/20 0.31

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
SCHEMBL28388299 0.80 PARP1 (0.41) L3MBTL1PARP1HSP90AA1HSP90AB1KDM4E
SCHEMBL8183808 0.73 MKNK1 (0.44) L3MBTL1MEN1KMT2APDK2PARP1
SCHEMBL14213204 0.72 PARP1 (0.48) L3MBTL1KMT2APARP1HSP90AA1HSP90AB1
SCHEMBL28252975 0.72 PARP1 (0.40) L3MBTL1MEN1KMT2APARP1KDM4E
SCHEMBL11350133 0.70 PARP1 (0.46) PARP1SLC22A12HSP90AA1HSP90AB1KDM4E
SCHEMBL5373229 0.70 HSP90AA1 (0.58) HSP90AA1HSP90AB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2154079 0.69 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL11346550 0.68 PARP1 (0.44) MEN1KMT2APARP1HSP90AA1HSP90AB1
SCHEMBL11346841 0.68 AR (0.46) PARP1SLC22A12HSP90AA1HSP90AB1KDM4E
SCHEMBL28360036 0.68 PARP1 (0.37) L3MBTL1MEN1KMT2APARP1KDM4E

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
WO-2020022248-A1 CURABLE COMPOSITION, FILM, COLOR FILTER, METHOD FOR PRODUCING COLOR FILTER, SOLID STATE IMAGING DEVICE AND IMAGE DISPLAY DEVICE 富士フイルム株式会社 2020-01-30 — — WO disclosed
Send feedback