SCHEMBL17664340

SCHEMBL17664340

NC(=O)N/C=C/c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ RECQL P46063 1/20 0.53
▸ P4HB P07237 1/20 0.51
▸ MAOB P27338 4/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ FBP1 P09467 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49

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
SCHEMBL17664301 0.83 KDM4E (0.57) MEN1LMNAHSP90AA1MAPTPKM
SCHEMBL17664299 0.81 HTT (0.60) MEN1LMNAHSP90AA1MAPTPKM
SCHEMBL17664313 0.80 MAPT (0.64) MEN1LMNAHSP90AA1MAPTPKM
SCHEMBL1124017 0.80 LMNA (0.62) MEN1LMNAHSP90AA1MAPTPKM
SCHEMBL1124018 0.80 LMNA (0.62) MEN1LMNAHSP90AA1MAPTPKM
SCHEMBL17664233 0.78 MLYCD (0.53) MEN1LMNAHSP90AA1MAPTPKM
SCHEMBL3167843 0.77 RECQL (0.57) MEN1LMNAHSP90AA1MAPTPKM
SCHEMBL17664337 0.77 LMNA (0.51) MEN1LMNAHSP90AA1MAPTPKM
SCHEMBL17664237 0.76 CNR1 (0.58) MEN1LMNAHSP90AA1MAPTPKM
SCHEMBL10586039 0.76 LMNA (0.55) MEN1LMNAHSP90AA1MAPTPKM

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-2016049774-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-04-07 — — WO disclosed
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