SCHEMBL7548440

SCHEMBL7548440

COc1cc(OCc2nc3ccccc3s2)ccc1NC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
MAPT P10636 4/20 0.66
ALDH1A1 P00352 3/20 0.66
ALOX5 P09917 12/20 0.61
EPHX2 P34913 12/20 0.61
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PKM P14618 2/20 0.56
ALOX5AP P20292 1/20 0.55
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL7541434 0.92 MAPT (0.66) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2
SCHEMBL7543930 0.91 ALOX5 (0.60) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2
SCHEMBL7547352 0.88 ALOX5 (0.57) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2
SCHEMBL7549661 0.88 ALOX5 (0.57) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2
SCHEMBL7545066 0.88 ALOX5 (0.61) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2
SCHEMBL7545496 0.87 ALOX5 (0.63) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2
SCHEMBL7541316 0.87 ALOX5 (0.78) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2
SCHEMBL7541521 0.87 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2
SCHEMBL7547564 0.87 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2
SCHEMBL7544074 0.87 ALOX5 (0.60) SMN1; SMN2MAPTALDH1A1ALOX5EPHX2

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