SCHEMBL7544449

SCHEMBL7544449

CC(=O)Nc1ccc(OCc2nc3ccccc3o2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 9/20 0.46
RECQL P46063 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7543727 0.91 AGPAT2 (0.48) NPC1RAB9AMAPTRECQLKDM4E
SCHEMBL7548632 0.84 NPC1 (0.49) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL7545416 0.84 RORC (0.55) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL7548150 0.84 MEN1 (0.50) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL7544961 0.80 RAB9A (0.47) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL7547340 0.79 MEN1 (0.60) NPC1RAB9AMAPTRECQLKDM4E
SCHEMBL7541036 0.78 EPHX2 (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11415053 0.76 HTT (0.59) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL11418211 0.76 HTT (0.59) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL7545139 0.76 AGPAT2 (0.53) NPC1RAB9AMAPTKDM4EMEN1

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