SCHEMBL7550313

SCHEMBL7550313

CC(=O)Nc1ccc(OCc2nc3ccccc3s2)c(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
EPHX2 P34913 12/20 0.58
ALOX5 P09917 11/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PKM P14618 1/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
ALOX5AP P20292 1/20 0.48

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
SCHEMBL7541461 0.90 EPHX2 (0.57) NPC1EPHX2ALOX5CYP1A2CYP2C19
SCHEMBL7544292 0.87 DYRK1A (0.52) NPC1EPHX2ALOX5RAB9ASMN1; SMN2
SCHEMBL7550271 0.87 DYRK1A (0.52) NPC1EPHX2ALOX5RAB9AMAPT
SCHEMBL7544351 0.85 DYRK1A (0.52) NPC1EPHX2ALOX5RAB9AALOX5AP
SCHEMBL7550288 0.85 EPHX2 (0.52) EPHX2ALOX5SMN1; SMN2HSD17B10KDM4E
SCHEMBL7541645 0.85 DYRK1A (0.52) NPC1EPHX2ALOX5RAB9ASMN1; SMN2
SCHEMBL7541747 0.85 EPHX2 (0.54) NPC1EPHX2ALOX5CYP1A2CYP2C19
SCHEMBL7548621 0.84 DYRK1A (0.55) NPC1EPHX2ALOX5CYP1A2CYP2C19
SCHEMBL7541627 0.84 NPC1 (0.55) NPC1EPHX2ALOX5CYP1A2CYP2C19
SCHEMBL7549484 0.84 EPHX2 (0.43) NPC1EPHX2ALOX5RAB9ASMN1; SMN2

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