SCHEMBL626087

SCHEMBL626087

NOC(c1ccccc1[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 4/20 0.42
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLAU P00749 1/20 0.39
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
GPR35 Q9HC97 1/20 0.38
PDE7A Q13946 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSD P07339 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 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
SCHEMBL2821430 0.85 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL8728613 0.81 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL5490056 0.80 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL28306131 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL499375 0.78 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL5604453 0.77 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL9265199 0.76 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL2028620 0.75 GSR (0.43) ALDH1A1TDP1NPC1KMT2A
SCHEMBL7775829 0.75 CYP1A2 (0.58) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL18912100 0.75 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527220-A1 VACCINE ENGINEERING AC Immune S.A. (CH) 2019-08-21 EP disclosed
US-9289488-B2 Vaccine engineering AC IMMUNE SA (CH) 2016-03-22 US disclosed
US-20130287838-A1 VACCINE ENGINEERING AC IMMUNE S.A. (CH) 2013-10-31 US disclosed
EP-2603233-A1 VACCINE ENGINEERING AC Immune S.A. (CH) 2013-06-19 EP disclosed
WO-2012020124-A1 VACCINE ENGINEERING AC IMMUNE S.A. (CH) 2012-02-16 WO disclosed