SCHEMBL157666

SCHEMBL157666

O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.81
KMT2A Q03164 7/20 0.81
ELANE P08246 2/20 0.81
F7 P08709 1/20 0.70
F3 P13726 1/20 0.70
C1R P00736 3/20 0.65
MAPT P10636 7/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
RAB9A P51151 9/20 0.58
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.53
PSMB8 P28062 1/20 0.53
LMNA P02545 1/20 0.51
CASP3 P42574 1/20 0.51
GUSB P08236 1/20 0.49
HTT P42858 1/20 0.49
APEX1 P27695 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
SCHEMBL11812017 0.91 MAPT (0.76) MEN1KMT2AELANEF7F3
SCHEMBL31742428 0.90 F7 (0.71) MEN1KMT2AELANEF7F3
SCHEMBL31742427 0.90 MEN1 (0.67) MEN1KMT2AELANEF7F3
SCHEMBL692321 0.90 KMT2A (1.00) MEN1KMT2AELANEF7F3
SCHEMBL29633854 0.90 KMT2A (1.00) MEN1KMT2AELANEF7F3
SCHEMBL6567235 0.89 MEN1 (0.72) MEN1KMT2AELANEF7F3
SCHEMBL31742429 0.86 MAPT (0.65) MEN1KMT2AELANEF7F3
SCHEMBL31742426 0.84 RAB9A (0.75) MEN1KMT2AELANEF7F3
SCHEMBL913997 0.83 KMT2A (0.67) MEN1KMT2AELANEF7F3
SCHEMBL31742425 0.83 MEN1 (0.64) MEN1KMT2AELANEF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148368-B2 7-nitro-2-(3-nitro phenyl)-4H-3,1-benzoxazin-4-one or derivatives thereof for treating or preventing antiviral infections RIAZUDDIN SHAIKH (PK) 2012-04-03 US claimed
US-20120058080-A1 7-Nitro-2-(3-nitro phenyl)-4H-3,1-benzoxazin-4-one or derivatives thereof for treating or preventing antiviral infections RIAZUDDIN SHAIKH (PK) 2012-03-08 US claimed
US-8148368-B2 7-nitro-2-(3-nitro phenyl)-4H-3,1-benzoxazin-4-one or derivatives thereof for treating or preventing antiviral infections RIAZUDDIN SHAIKH (PK) 2012-04-03 US disclosed
US-8148368-B2 7-nitro-2-(3-nitro phenyl)-4H-3,1-benzoxazin-4-one or derivatives thereof for treating or preventing antiviral infections RIAZUDDIN SHAIKH (PK) 2012-04-03 US disclosed
US-20120058080-A1 7-Nitro-2-(3-nitro phenyl)-4H-3,1-benzoxazin-4-one or derivatives thereof for treating or preventing antiviral infections RIAZUDDIN SHAIKH (PK) 2012-03-08 US disclosed
US-20120058080-A1 7-Nitro-2-(3-nitro phenyl)-4H-3,1-benzoxazin-4-one or derivatives thereof for treating or preventing antiviral infections RIAZUDDIN SHAIKH (PK) 2012-03-08 US disclosed