SCHEMBL8337282

SCHEMBL8337282

COC(=O)c1cc(Cl)c(Br)c(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ABL1 P00519 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NQO2 P16083 2/20 0.39
SOS1 Q07889 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL8331805 0.82 GAA (0.51) GAAABL1HTTKDM4ENQO2
SCHEMBL13315462 0.80 GAA (0.46) GAAABL1HTTKDM4EMAPT
SCHEMBL522450 0.79 GAA (0.49) GAAABL1HTTKDM4ENQO2
SCHEMBL8159962 0.79 GAA (0.49) GAAABL1HTTKDM4EMAPT
SCHEMBL31147102 0.79 GAA (0.51) GAAABL1HTTKDM4EMAPT
SCHEMBL28406215 0.78 ABL1 (0.46) GAAABL1HTTMAPTNPSR1
SCHEMBL7409881 0.78 ABL1 (0.46) GAAABL1HTTKDM4EMAPT
SCHEMBL70011 0.78 GAA (0.58) GAAABL1HTTKDM4EMAPT
SCHEMBL1953848 0.78 GAA (0.58) GAAABL1HTTKDM4EMAPT
SCHEMBL27214471 0.77 SOS1 (0.46) GAAABL1HTTMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1070466-C Method for preparing aromatic compounds ROHM & HAAS (US) 2001-09-05 CN disclosed
US-5886210-A Method for preparing aromatic compounds ROHM AND HAAS COMPANY (US) 1999-03-23 US disclosed
CN-1186795-A Method for preparing aromatic compounds ROHM & HAAS (US) 1998-07-08 CN disclosed
EP-0825173-A1 Method for preparing aromatic compounds ROHM AND HAAS COMPANY (US) 1998-02-25 EP disclosed