SCHEMBL7544713

SCHEMBL7544713

COC(=O)Nc1ccc(OCc2nc3ccccc3o2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 9/20 0.60
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.45
POLB P06746 1/20 0.45
GRM4 Q14833 1/20 0.44
DUSP3 P51452 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN11 Q06124 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL7545416 0.91 RORC (0.55) AGPAT2MAPTTP53POLBKMT2A
SCHEMBL7545139 0.88 AGPAT2 (0.53) AGPAT2MAPTTP53THRBKMT2A
SCHEMBL7544358 0.88 AGPAT2 (0.52) AGPAT2MAPTTP53THRBPOLB
SCHEMBL7543727 0.84 AGPAT2 (0.48) AGPAT2MAPTTHRBPOLBKMT2A
SCHEMBL7542952 0.82 SMN1; SMN2 (0.57) AGPAT2MAPTTP53POLBDUSP3
SCHEMBL7548150 0.80 MEN1 (0.50) MAPTTP53THRBPOLBKMT2A
SCHEMBL7545865 0.79 AGPAT2 (0.49) AGPAT2MAPTTP53POLBKMT2A
SCHEMBL7548632 0.78 NPC1 (0.49) MAPTTP53POLBKMT2A
SCHEMBL7544364 0.77 EPHX2 (0.69) MAPTKMT2A
SCHEMBL20103600 0.77 EPHX2 (0.63) AGPAT2MAPTTP53KMT2A

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
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed