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SCHEMBL536038

SCHEMBL536038

COC(=O)c1cc(C)cc(NC(=O)C2(C(C)(C)O[SiH2]C(C)(C)C)C(F)=C(F)C(c3ccccc3)=C(F)C2F)c1N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL536037 0.66 ADORA3 (0.34) ALDH1A1MAPTHPGDKMT2A
SCHEMBL28836033 0.59 MEN1 (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL28835979 0.57 CYP1A2 (0.32) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL6118859 0.57 KDM4E (0.49) ALDH1A1GAAMAPTHPGD
SCHEMBL6118855 0.57 KDM4E (0.55) ALDH1A1GAAMAPTHPGD
SCHEMBL28835982 0.57 MEN1 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL28835983 0.57 MEN1 (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL6119213 0.56 CFTR (0.54) ALDH1A1GAAMAPTHPGD
SCHEMBL12731290 0.55 KDM4E (0.43) ALDH1A1GAAMAPTHPGD
SCHEMBL6811268 0.55 ALDH1A1 (0.52) MEN1ALDH1A1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 — — EP disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 — — WO disclosed