SCHEMBL6535560

SCHEMBL6535560

COc1ccc(CONS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
AR P10275 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CYP19A1 P11511 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL6534688 0.75 KMT2A (0.59) LMNAALDH1A1POLBNPSR1MAPT
SCHEMBL30586133 0.75 AR (0.62) LMNAALDH1A1KMT2AMEN1AR
SCHEMBL4421032 0.75 AR (0.62) LMNAALDH1A1KMT2AMEN1AR
SCHEMBL1630292 0.73 CA1 (0.63) LMNAALDH1A1KMT2AMEN1GAA
SCHEMBL12368222 0.71 ALDH1A1 (0.66) LMNAALDH1A1POLBNPSR1MAPT
SCHEMBL3917522 0.71 AR (0.67) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL6476661 0.71 LMNA (0.70) LMNAALDH1A1ARCYP19A1HPGD
SCHEMBL4289256 0.71 L3MBTL1 (0.65) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL14627755 0.70 CA1 (0.59) LMNAALDH1A1KMT2AMEN1AR
SCHEMBL18301669 0.69 TP53 (0.47) LMNAALDH1A1NPSR1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098659-A4 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE INC (US) 2004-11-24 EP disclosed
EP-1098659-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS Metaphore, Inc. (US) 2001-05-16 EP disclosed
WO-2000004868-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE, INC. (US) 2000-02-03 WO disclosed