SCHEMBL28633604

SCHEMBL28633604

Cc1c(C#N)cc(CF)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
IMPDH2 P12268 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8658135 0.76 KDM4E (0.41) NOTUMKDM4EHSD17B10AURKATPX2
SCHEMBL23699545 0.75 KDM4E (0.40) NOTUMKDM4EHSD17B10AURKATPX2
SCHEMBL5227099 0.75 KDM4E (0.40) NOTUMKDM4EHSD17B10AURKATPX2
SCHEMBL26087614 0.75 NOTUM (0.46) NOTUMKDM4EHSD17B10AURKATPX2
SCHEMBL11520043 0.73 KDM4E (0.44) NOTUMKDM4EHSD17B10AURKATPX2
SCHEMBL5224192 0.72 KDM4E (0.38) NOTUMKDM4EHSD17B10AURKATPX2
SCHEMBL26091697 0.71 NOTUM (0.46) NOTUMKDM4EHSD17B10AURKATPX2
SCHEMBL26089714 0.71 AURKA (0.43) NOTUMKDM4EHSD17B10MRGPRX4AURKA
SCHEMBL44816 0.70 VCAM1 (0.47) MEN1KMT2ATDP1HTTALDH1A1
SCHEMBL14645847 0.68 KDM4E (0.46) NOTUMKDM4EHSD17B10AURKATPX2

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-113423701-A Substituted isoindolinones 拜欧斯瑞克斯公司 2021-09-21 CN disclosed