SCHEMBL4607250

SCHEMBL4607250

Cc1cc[c]c(-c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.36
HTR2B P41595 1/20 0.36
PDE4D Q08499 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NTSR1 P30989 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
PTPN11 Q06124 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
IDO1 P14902 1/20 0.34
SLC9A1 P19634 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4429962 0.89 ALKBH3 (0.36) S1PR4ALDH1A1HPGDMAPTMEN1
SCHEMBL8527936 0.86 HSD11B1 (0.43) TP53ALDH1A1HPGDMAPTMEN1
SCHEMBL4440097 0.86 IDO1 (0.39) S1PR4RAPGEF4IDO1
SCHEMBL4439316 0.86 ALKBH3 (0.34) S1PR4TP53RAPGEF4
SCHEMBL4438343 0.85 TP53 (0.41) HTR2BPDE4DTP53ALDH1A1HPGD
SCHEMBL4427280 0.83 ALDH1A1 (0.34) ALDH1A1MAPTHTT
SCHEMBL7839044 0.80 PLA2G7 (0.40) TP53ALDH1A1HPGDMAPTMEN1
SCHEMBL4429675 0.79 PDE2A (0.39) ALDH1A1PDE2A
SCHEMBL2154312 0.76 AHR (0.34) TP53ALDH1A1MAPTMEN1KMT2A
SCHEMBL9856911 0.74 PTPN1 (0.40) HTR2BPDE4DTP53ALDH1A1HPGD

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