SCHEMBL7548466

SCHEMBL7548466

O=C(CCCCBr)Nc1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.81
ALDH1A1 P00352 2/20 0.81
KDM4E B2RXH2 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
NPC1 O15118 4/20 0.73
RAB9A P51151 4/20 0.73
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
ALOX5 P09917 8/20 0.69
EPHX2 P34913 8/20 0.69
LMNA P02545 1/20 0.60
POLB P06746 2/20 0.56
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL7548380 0.97 MAPT (0.82) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7543974 0.85 NPC1 (0.77) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7542600 0.84 NPC1 (1.00) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7540872 0.84 NPC1 (0.79) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL8769691 0.83 EPHX2 (0.84) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7541535 0.83 ALDH1A1 (0.80) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7543728 0.82 EPHX2 (0.78) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7544458 0.82 NPC1 (0.79) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7544973 0.81 NPC1 (0.77) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7541729 0.81 ALDH1A1 (0.80) MAPTALDH1A1KDM4ETDP1NPC1

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