SCHEMBL29781342

SCHEMBL29781342

COC(=O)c1ccncc1Nc1ccc([Si](C)(C)C)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ NUDT1 P36639 1/20 0.45
▸ MAP2K2 P36507 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ PRKCZ Q05513 1/20 0.43
▸ IARS2 Q9NSE4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TGFBR1 P36897 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4C Q9H3R0 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ CFTR P13569 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL3726714 0.84 GAA (0.48) DHODHKDM4EALDH1A1GLAGAA
SCHEMBL29781369 0.84 MAP2K1 (0.60) DHODHKDM4EALDH1A1GLAGAA
SCHEMBL3885464 0.84 MAP2K1 (0.60) DHODHKDM4EALDH1A1GLAGAA
SCHEMBL23673877 0.82 MAP2K1 (0.37) DHODHKDM4EALDH1A1GAANUDT1
SCHEMBL29425395 0.81 KDM4E (0.43) DHODHKDM4EMAP2K1L3MBTL1MAPK14
SCHEMBL23673984 0.81 KDM4E (0.43) DHODHKDM4EMAP2K1L3MBTL1MAPK14
SCHEMBL3732479 0.81 KDM4E (0.50) DHODHKDM4EALDH1A1GLAGAA
SCHEMBL23673897 0.79 MAPK14 (0.34) DHODHKDM4EALDH1A1NUDT1MAP2K1
SCHEMBL23673990 0.79 MAP2K1 (0.35) DHODHKDM4ENUDT1MAP2K2MAP2K1
SCHEMBL30459905 0.79 MAP2K1 (0.35) DHODHKDM4ENUDT1MAP2K2MAP2K1

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-114929669-A Arylamide derivatives having antitumor activity 中外制药株式会社 2022-08-19 — — CN disclosed
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