SCHEMBL5680583

SCHEMBL5680583

CC(C)(C)OC(=O)NCNC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
ALOX15 P16050 4/20 0.42
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX5 P09917 1/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5896960 0.92 HRH4 (0.47) HRH4ALOX15MAPTNPC1RAB9A
SCHEMBL5896947 0.90 ALOX15 (0.47) HRH4ALOX15MAPTNPC1RAB9A
SCHEMBL5896819 0.83 HRH4 (0.45) HRH4ALOX15MAPTNPC1RAB9A
SCHEMBL7365267 0.81 HRH4 (0.55) HRH4ALOX15MAPTNPC1RAB9A
SCHEMBL17140836 0.80 MTNR1A (0.47) HRH4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5896864 0.77 LEF1 (0.51) HRH4MAPTNPC1RAB9ABRD4
SCHEMBL3029155 0.74 HRH4 (0.58) HRH4ALOX15MAPTSMN1; SMN2MEN1
SCHEMBL20287498 0.73 ALOX15 (0.49) HRH4ALOX15NPC1RAB9AHTR2C
SCHEMBL5677239 0.73 ALOX15 (0.49) HRH4ALOX15NPC1RAB9ABRD4
SCHEMBL15584613 0.73 KCNJ1 (0.57) MAPTSMN1; SMN2BRD4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP disclosed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO disclosed