SCHEMBL3885825

SCHEMBL3885825

N#CN(c1ccc(CCCC(N)=O)cc1)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
EPHX2 P34913 1/20 0.35
MLYCD O95822 1/20 0.34

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
SCHEMBL2356277 0.89 SMN1; SMN2 (0.51) CYP2D6GMNNALDH1A1LMNAMAPT
SCHEMBL3922290 0.83 FFAR1 (0.48) CYP2D6GMNNALDH1A1LMNAMAPT
SCHEMBL3658925 0.79 THRA (0.32) ALDH1A1THRATHRBHRH3
SCHEMBL3927904 0.77 ENPP2 (0.45) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL22201164 0.72 NR1H4 (0.39) CYP2D6GMNNALDH1A1LMNAMAPT
SCHEMBL12500342 0.70 FFAR1 (0.49) TSHRCA1CA2FFAR1
SCHEMBL27726296 0.69 ALOX5 (0.39) CYP2D6GMNNALDH1A1LMNAMAPT
SCHEMBL2113384 0.68 ALDH1A1 (0.77) CYP2D6GMNNALDH1A1LMNAMAPT
Acetonitrile SCHEMBL26661177 0.67 FFAR1 (0.46) L3MBTL1CYP1A2FFAR1
SCHEMBL547427 0.67 CYP1A2 (0.50) SMN1; SMN2CYP1A2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893196-A4 DIARYLHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2009-03-18 EP claimed
JP-2008540523-A 2008-11-20 JP claimed
EP-1893196-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-05 EP claimed
WO-2006124118-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-23 WO claimed
EP-1893196-A4 DIARYLHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2009-03-18 EP disclosed
EP-2013187-A2 DIARYLTHIOHYDANTOIN COMPOUNDS The Regents of the University of California (US) 2009-01-14 EP disclosed
WO-2007127010-A9 DIARYLTHIOHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2008-05-22 WO disclosed
EP-1893196-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-05 EP disclosed
WO-2007127010-A2 DIARYLTHIOHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-08 WO disclosed
WO-2006124118-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-23 WO disclosed