SCHEMBL4566459

SCHEMBL4566459

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(CNC3CCCc4ccccc43)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
CCR1 P32246 1/20 0.38
KDM4E B2RXH2 2/20 0.36
DHFR P00374 1/20 0.36
SPR P35270 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3134752 1.00 GAA (0.43) GAAALDH1A1MEN1MAPK1KMT2A
SCHEMBL3465072 0.87 TSHR (0.44) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL3465075 0.87 TSHR (0.44) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL2638245 0.86 GAA (0.40) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL3139233 0.86 GAA (0.40) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL4553899 0.86 GAA (0.40) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL3148191 0.85 GAA (0.39) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL3258665 0.84 GAA (0.39) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL169067 0.83 GAA (0.40) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL231822 0.83 GAA (0.40) GAAALDH1A1MEN1KMT2APOLB

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-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP claimed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO claimed