SCHEMBL17664337

SCHEMBL17664337

Nc1ccc(CNC(=O)N/C=C/c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.48
▸ BACE1 P56817 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAOB P27338 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PPIB P23284 1/20 0.43
▸ PPIA P62937 1/20 0.43
▸ PPID Q08752 1/20 0.43
▸ PPIG Q13427 1/20 0.43
▸ P4HB P07237 1/20 0.42
▸ HTT P42858 1/20 0.41

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
SCHEMBL17664233 0.88 MLYCD (0.53) LMNAALDH1A1MAPTMEN1HSP90AA1
SCHEMBL17664230 0.84 LMNA (0.52) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL17664338 0.84 DDT (0.53) LMNAALDH1A1MAPTMEN1HSP90AA1
SCHEMBL17664237 0.79 CNR1 (0.58) LMNAMAPTMEN1HSP90AA1PKM
SCHEMBL17664340 0.77 MEN1 (0.55) LMNAMAPTMEN1HSP90AA1PKM
SCHEMBL17664299 0.76 HTT (0.60) LMNAALDH1A1MAPTMEN1HSP90AA1
SCHEMBL17664301 0.75 KDM4E (0.57) LMNAMAPTMEN1HSP90AA1PKM
SCHEMBL17664313 0.75 MAPT (0.64) LMNAALDH1A1MAPTMEN1HSP90AA1
SCHEMBL17664350 0.73 CNR1 (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL17664223 0.73 ATG4B (0.49) LMNAALDH1A1MEN1KMT2ANPSR1

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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