SCHEMBL7543761

SCHEMBL7543761

COC(=O)Nc1ccc(OCc2nc3ccc(C(=O)OC)cc3o2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 4/20 0.46
TP53 P04637 3/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 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
SCHEMBL7541433 0.92 MAPT (0.46) MAPTPOLBLMNATP53NPC1
SCHEMBL7547344 0.92 ALOX5AP (0.43) MAPTPOLBLMNATP53NPC1
SCHEMBL7550333 0.90 MAPT (0.46) MAPTPOLBLMNATP53NPC1
SCHEMBL7542077 0.87 CEPT1 (0.42) MAPTPOLBLMNATP53
SCHEMBL7541413 0.86 LMNA (0.47) MAPTPOLBLMNATP53NPC1
SCHEMBL7541707 0.86 MAPT (0.52) MAPTPOLBLMNATP53NPC1
SCHEMBL7541702 0.84 MAPT (0.45) MAPTPOLBLMNATP53NPC1
SCHEMBL7541510 0.84 AGPAT2 (0.50) MAPTLMNATP53NPC1RAB9A
SCHEMBL7547607 0.83 MAPT (0.46) MAPTLMNATP53RAB9AKDM4E
SCHEMBL7544004 0.82 MAPT (0.46) MAPTPOLBLMNATP53NPC1

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