SCHEMBL4623160

SCHEMBL4623160

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)C3CCCc4ccccc43)co2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCR1 P32246 1/20 0.37
SPR P35270 1/20 0.37
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P4HB P07237 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
SCHEMBL775490 1.00 GAA (0.40) GAAKDM4EMEN1KMT2ACCR1
SCHEMBL438391 0.87 GAA (0.41) GAAKDM4EMEN1KMT2ACCR1
SCHEMBL29419132 0.86 GAA (0.40) GAAKDM4EMEN1KMT2ACCR1
SCHEMBL169067 0.86 GAA (0.40) GAAKDM4EMEN1KMT2ACCR1
SCHEMBL29419078 0.86 GAA (0.40) GAAKDM4EMEN1KMT2ACCR1
SCHEMBL29419093 0.86 GAA (0.40) GAAKDM4EMEN1KMT2ACCR1
SCHEMBL231822 0.86 GAA (0.40) GAAKDM4EMEN1KMT2ACCR1
SCHEMBL122901 0.86 GAA (0.40) GAAKDM4EMEN1KMT2ACCR1
SCHEMBL1274327 0.84 GAA (0.42) GAAKDM4EMEN1KMT2ACCR1
SCHEMBL1274329 0.84 GAA (0.42) GAAKDM4EMEN1KMT2ACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO claimed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP claimed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO claimed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed