SCHEMBL29781364

SCHEMBL29781364

COC(=O)c1cc(C=O)ncc1Nc1ccc([Si](C)(C)C)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.34
▸ DHODH Q02127 4/20 0.33
▸ CSF1R P07333 3/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ NUDT1 P36639 4/20 0.33
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ DBF4 Q9UBU7 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL29425398 1.00 MAPK14 (0.34) MAPK14DHODHCSF1RTGFBR1NUDT1
SCHEMBL23673897 1.00 MAPK14 (0.34) MAPK14DHODHCSF1RTGFBR1NUDT1
SCHEMBL27224638 0.89 DHODH (0.37) DHODHNUDT1KDM4EMAP2K1
SCHEMBL23673877 0.85 MAP2K1 (0.37) MAPK14DHODHCSF1RTGFBR1NUDT1
SCHEMBL23673984 0.84 KDM4E (0.43) MAPK14DHODHCSF1RKDM4EMAP2K1
SCHEMBL29425395 0.84 KDM4E (0.43) MAPK14DHODHCSF1RKDM4EMAP2K1
SCHEMBL24848943 0.83 DHODH (0.34) DHODHCSF1RTGFBR1NUDT1MAPT
SCHEMBL30459905 0.82 MAP2K1 (0.35) MAPK14DHODHCSF1RTGFBR1NUDT1
SCHEMBL23673990 0.82 MAP2K1 (0.35) MAPK14DHODHCSF1RTGFBR1NUDT1
SCHEMBL23673873 0.81 MAP2K1 (0.35) MAPK14DHODHCSF1RTGFBR1NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803024-B Compositions comprising aryl amide derivatives 中外制药株式会社 2025-01-10 — — CN disclosed
CN-114929669-B Aryl amide derivatives with antitumor activity 中外制药株式会社 2024-11-29 — — CN disclosed
CN-117677607-A Process for producing aryl amide derivative 中外制药株式会社 2024-03-08 — — CN disclosed
CN-115803024-A Composition comprising arylamide derivatives 中外制药株式会社 2023-03-14 — — CN disclosed
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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