SCHEMBL5797988

SCHEMBL5797988

[CH2]C(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
KCNMA1 Q12791 1/20 0.59
PHGDH O43175 1/20 0.58
RAB9A P51151 3/20 0.56
GAA P10253 3/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 3/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 2/20 0.53

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
SCHEMBL11332310 0.85 KMT2A (0.73) KMT2AMEN1KCNMA1PHGDHRAB9A
SCHEMBL6857920 0.85 KMT2A (0.73) KMT2AMEN1KCNMA1PHGDHRAB9A
SCHEMBL113558 0.83 MEN1 (0.71) KMT2AMEN1KCNMA1PHGDHRAB9A
SCHEMBL30388225 0.83 KMT2A (0.71) KMT2AMEN1KCNMA1PHGDHRAB9A
SCHEMBL175272 0.83 MEN1 (0.71) KMT2AMEN1KCNMA1PHGDHRAB9A
SCHEMBL1745798 0.83 KMT2A (0.71) KMT2AMEN1KCNMA1PHGDHRAB9A
SCHEMBL6377318 0.83 KMT2A (0.71) KMT2AMEN1KCNMA1PHGDHRAB9A
SCHEMBL733777 0.81 KMT2A (0.69) KMT2AMEN1KCNMA1PHGDHRAB9A
SCHEMBL29740651 0.81 KMT2A (0.69) KMT2AMEN1KCNMA1PHGDHRAB9A
SCHEMBL31598592 0.81 KMT2A (0.63) KMT2AMEN1KCNMA1PHGDHRAB9A

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
WO-2006037468-A1 HIV REVERSE TRANSCRIPTASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-04-13 WO claimed
CN-107880037-A A kind of 2 oxos 2(Aryl aniline)The synthetic method of ethyl substitution MOXIFLOXACIN series compound and application 浙江海洋大学 2018-04-06 CN disclosed
CN-107880036-A A kind of 2 oxo 2 (aryl aniline) ethyls substitution MOXIFLOXACIN series compound with anti-prostate cancer activity 浙江海洋大学 2018-04-06 CN disclosed
WO-2006037468-A1 HIV REVERSE TRANSCRIPTASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-04-13 WO disclosed