SCHEMBL7544358

SCHEMBL7544358

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 5/20 0.52
MAPT P10636 7/20 0.43
TP53 P04637 3/20 0.43
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RXFP1 Q9HBX9 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE10A Q9Y233 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7548632 0.91 NPC1 (0.49) MAPTTP53HSD17B10RXFP1SMN1; SMN2
SCHEMBL7545139 0.88 AGPAT2 (0.53) AGPAT2MAPTTP53USP2TSHR
SCHEMBL7544713 0.88 AGPAT2 (0.60) AGPAT2MAPTTP53KMT2APOLB
SCHEMBL7543727 0.84 AGPAT2 (0.48) AGPAT2MAPTSMN1; SMN2LMNANPC1
SCHEMBL7542952 0.82 SMN1; SMN2 (0.57) AGPAT2MAPTTP53USP2TSHR
SCHEMBL7548150 0.80 MEN1 (0.50) MAPTTP53USP2TSHRHSD17B10
SCHEMBL7541142 0.79 PDE10A (0.45) AGPAT2MAPTTP53USP2TSHR
SCHEMBL14776973 0.78 ALDH1A1 (0.48) MAPTTP53TSHRSMN1; SMN2LMNA
SCHEMBL7545416 0.78 RORC (0.55) AGPAT2MAPTTP53SMN1; SMN2NPC1
SCHEMBL7542556 0.77 EPHX2 (0.63) MAPTHSD17B10SMN1; SMN2NPC1RAB9A

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