SCHEMBL11035972

SCHEMBL11035972

CC(=O)Nc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MLNR O43193 1/20 0.44
MMP1 P03956 1/20 0.44
MPO P05164 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL10945510 0.80 CYP19A1 (0.46) CYP19A1KMT2AMEN1PKMMAPT
SCHEMBL8977174 0.80 MAPT (0.61) CYP19A1KMT2AMEN1GAAPKM
SCHEMBL11869248 0.80 CYP19A1 (0.68) CYP19A1KMT2AMEN1GAAPKM
SCHEMBL3007692 0.76 RAB9A (0.60) KMT2AMEN1PKMMAPTLMNA
SCHEMBL7859963 0.76 ESRRA (0.58) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL2342698 0.75 ADRA2C (0.64) KMT2AMEN1GAAPKMMAPT
SCHEMBL30327328 0.75 ADRA2C (0.64) KMT2AMEN1GAAPKMMAPT
SCHEMBL13811014 0.74 GAA (0.50) KMT2AMEN1GAAMAPTLMNA
SCHEMBL28557835 0.74 ESRRA (0.50) GAAMAPTLMNASMN1; SMN2NPSR1
SCHEMBL20395326 0.74 HSD17B10 (0.51) CYP19A1KMT2AMEN1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59108750-A None JP disclosed
JP-S59108750-A NOVEL MONOAMIDO AROMATIC DIAMINE COMPOUND UBE IND LTD 1984-06-23 JP disclosed