SCHEMBL7544648

SCHEMBL7544648

COC(=O)N(C(=O)C1CCCCC1)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.52
EPHX2 P34913 8/20 0.52
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX5AP P20292 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7541274 0.99 ALOX5 (0.53) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7545402 0.97 ALOX5 (0.53) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7548666 0.88 NPC1 (0.61) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7550284 0.85 ALOX5 (0.49) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7542368 0.84 ALOX5 (0.50) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7543081 0.84 ALOX5 (0.56) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7544229 0.84 ALOX5 (0.56) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7548159 0.84 ALOX5 (0.56) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7548736 0.83 ALOX5 (0.58) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7544269 0.83 ALOX5 (0.58) ALOX5EPHX2NPC1MAPTRAB9A

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