SCHEMBL7541645

SCHEMBL7541645

CC(=O)Nc1ccc(OCc2nc3ccc(F)cc3s2)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.52
PDPK1 O15530 1/20 0.52
PTPN1 P18031 1/20 0.45
EPHX2 P34913 7/20 0.45
ALOX5 P09917 6/20 0.45
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 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
SCHEMBL7544351 0.92 DYRK1A (0.52) DYRK1APDPK1EPHX2ALOX5NPC1
SCHEMBL7544292 0.90 DYRK1A (0.52) DYRK1APTPN1EPHX2ALOX5MAPT
SCHEMBL7549484 0.89 EPHX2 (0.43) DYRK1APDPK1EPHX2ALOX5MAPT
SCHEMBL7541627 0.87 NPC1 (0.55) DYRK1AEPHX2ALOX5MAPTSMN1; SMN2
SCHEMBL7550313 0.85 NPC1 (0.58) EPHX2ALOX5MAPTSMN1; SMN2NPC1
SCHEMBL7545175 0.84 ALOX5 (0.60) DYRK1APDPK1PTPN1EPHX2ALOX5
SCHEMBL7550271 0.83 DYRK1A (0.52) DYRK1AEPHX2ALOX5MAPTNPC1
SCHEMBL7541521 0.82 SMN1; SMN2 (0.50) DYRK1APDPK1EPHX2ALOX5MAPT
SCHEMBL7550288 0.82 EPHX2 (0.52) DYRK1AEPHX2ALOX5SMN1; SMN2KDM4E
SCHEMBL7541020 0.81 DYRK1A (0.54) DYRK1AEPHX2ALOX5

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