SCHEMBL4607153

SCHEMBL4607153

Cc1c[c]c(Cl)cc1-c1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.33
RORB Q92753 3/20 0.33
PTPN5 P54829 5/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
STAT6 P42226 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5138594 0.83 BRD4 (0.32) PTPN5SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL4608305 0.79 RORC (0.34) RORCRORBPTPN5KDM4EMEN1
SCHEMBL4607151 0.78 PTPN5 (0.34) RORCRORBPTPN5KDM4EMEN1
SCHEMBL4608309 0.78 RORB (0.36) RORCRORBPTPN5KDM4EMEN1
SCHEMBL7456557 0.75 ESR2 (0.40) KDM4EMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL5138592 0.72 PTPN5 (0.34) PTPN5KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL4606815 0.71 RORB (0.43) RORCRORBKDM4EMEN1NPC1
SCHEMBL8307164 0.67 RORB (0.44) RORCRORBKDM4EMEN1NPC1
SCHEMBL16574009 0.66 SLC1A3 (0.49) RORCRORBSLC1A3SLC1A2SLC1A1
SCHEMBL5085694 0.65 PTPN5 (0.34) PTPN5

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 3 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 disclosed
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