SCHEMBL7543995

SCHEMBL7543995

Cc1cc(OCc2nc3ccccc3s2)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
MAPT P10636 4/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
HTT P42858 1/20 0.66
ALOX5 P09917 9/20 0.57
EPHX2 P34913 9/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 2/20 0.54
ALOX5AP P20292 1/20 0.52
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 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
SCHEMBL16044245 0.85 NPC1 (0.62) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7544788 0.81 NPC1 (0.68) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7548168 0.80 ALOX5 (0.58) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL10758257 0.80 NPC1 (0.63) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7543356 0.80 NPC1 (1.00) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7551610 0.79 ALOX5 (0.57) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL20103639 0.78 NPC1 (0.70) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL30354907 0.77 EPHX2 (0.59) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL29151274 0.77 EPHX2 (0.59) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL27452057 0.77 NPC1 (0.81) NPC1RAB9AMAPTL3MBTL1HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018077898-A1 N,N'-DIARYLUREA, N,N'-DIARYLTHIOUREA AND N,N'-DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE UNIVERSITÄT INNSBRUCK (AT) 2018-05-03 WO disclosed
EP-3315495-A1 N,N' -DIARYLUREA, N,N' -DIARYLTHIOUREA AND N,N' -DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE Universität Innsbruck (AT) 2018-05-02 EP disclosed
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
CN-1073097-C Aniline derivatives having herbicidal activity their prepn. and their use SANKYO CO (JP) 2001-10-17 CN disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
CN-1176962-A Aniline derivatives having herbicidal activity their prepn. and their use SANKYO CO (JP) 1998-03-25 CN disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed