SCHEMBL7544976

SCHEMBL7544976

COC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 5/20 0.58
CETP P11597 4/20 0.49
KDR P35968 4/20 0.47
TEK Q02763 2/20 0.47
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK14 Q16539 1/20 0.43
TNNI3K Q59H18 1/20 0.43
LMNA P02545 1/20 0.42
CSNK1D P48730 1/20 0.42
MAPT P10636 3/20 0.41
MDH1 P40925 1/20 0.41
MDH2 P40926 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7544185 0.86 MAPT (0.49) AGPAT2CETPKDRRAB9ASMN1; SMN2
SCHEMBL7543714 0.86 AGPAT2 (0.48) AGPAT2CETPKDRTEKLMNA
SCHEMBL7550212 0.86 RAB9A (0.51) AGPAT2CETPKDRRAB9ASMN1; SMN2
SCHEMBL7543368 0.85 AGPAT2 (0.57) AGPAT2CETPRAB9ASMN1; SMN2NPC1
SCHEMBL7543732 0.84 AGPAT2 (0.58) AGPAT2CETPRAB9ASMN1; SMN2NPC1
SCHEMBL7545924 0.83 MAPT (0.47) AGPAT2CETPRAB9ASMN1; SMN2NPC1
SCHEMBL7542952 0.82 SMN1; SMN2 (0.57) AGPAT2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7545883 0.81 CETP (0.50) CETPRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7551347 0.80 SMN1; SMN2 (0.47) AGPAT2CETPKDRTEKRAB9A
SCHEMBL7541056 0.79 CETP (0.44) AGPAT2CETPKDR

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