SCHEMBL7542633

SCHEMBL7542633

CCc1cc(OCc2nc3cc(C)ccc3s2)ccc1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.50
EPHX2 P34913 11/20 0.50
DYRK1A Q13627 3/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5AP P20292 1/20 0.46
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7551595 0.92 ALOX5 (0.51) ALOX5EPHX2DYRK1ANPC1RAB9A
SCHEMBL7543706 0.90 DYRK1A (0.56) ALOX5EPHX2DYRK1ANPC1RAB9A
SCHEMBL7548333 0.90 ALOX5 (0.62) ALOX5EPHX2DYRK1ANPC1RAB9A
SCHEMBL7542041 0.89 DYRK1A (0.51) ALOX5EPHX2DYRK1ANPC1RAB9A
SCHEMBL7548540 0.89 EPHX2 (0.53) ALOX5EPHX2DYRK1ANPC1RAB9A
SCHEMBL7541264 0.88 ALOX5 (0.58) ALOX5EPHX2DYRK1ANPC1RAB9A
SCHEMBL7542457 0.88 ALOX5 (0.62) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7542888 0.86 DYRK1A (0.53) ALOX5EPHX2DYRK1ANPC1RAB9A
SCHEMBL7541047 0.86 ALOX5 (0.46) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7543452 0.84 NPC1 (0.58) ALOX5EPHX2DYRK1ANPC1RAB9A

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