SCHEMBL7548632

SCHEMBL7548632

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPT P10636 6/20 0.44
PABPC1 P11940 1/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 3/20 0.44
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HSD17B10 Q99714 2/20 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
SCHEMBL7544358 0.91 AGPAT2 (0.52) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7548150 0.87 MEN1 (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7545416 0.87 RORC (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7544449 0.84 NPC1 (0.46) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7547340 0.82 MEN1 (0.60) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL14776973 0.79 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7545585 0.79 MAPK13 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7545139 0.79 AGPAT2 (0.53) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7544713 0.78 AGPAT2 (0.60) KMT2APOLBMAPTTP53
SCHEMBL7548721 0.77 EPHX2 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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