SCHEMBL7541499

SCHEMBL7541499

CC(=O)Nc1ccc(OCc2nc3ccc(F)cc3o2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
CEPT1 Q9Y6K0 1/20 0.42
GSTP1 P09211 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ALOX5 P09917 4/20 0.39
EPHX2 P34913 4/20 0.39
HTR1A P08908 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL7547636 0.92 DRD2 (0.46) DRD2HTR2ACEPT1GSTP1MAPT
SCHEMBL7542077 0.91 CEPT1 (0.42) DRD2HTR2ACEPT1GSTP1MAPT
SCHEMBL7544004 0.90 MAPT (0.46) MAPTLMNATP53POLBALOX5
SCHEMBL7542425 0.86 ALOX5 (0.48) MAPTLMNATP53POLBALOX5
SCHEMBL7541433 0.86 MAPT (0.46) MAPTLMNATP53POLBPIK3CA
SCHEMBL7542942 0.83 AGPAT2 (0.43) CEPT1MAPTLMNATP53ALOX5
SCHEMBL7545106 0.83 CEPT1 (0.42) CEPT1MAPTLMNATP53ALOX5
SCHEMBL7549421 0.83 MAPK13 (0.41) DRD2HTR2AGSTP1MAPTPOLB
SCHEMBL7548836 0.82 MAPT (0.46) CEPT1MAPTLMNATP53KDR
SCHEMBL7541140 0.82 LMNA (0.53) MAPTLMNAPOLBALOX5EPHX2

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