SCHEMBL27746161

SCHEMBL27746161

C=CC=CC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
MAPT P10636 4/20 0.66
ALDH1A1 P00352 3/20 0.66
HSP90AA1 P07900 2/20 0.66
HPGD P15428 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
MAPK1 P28482 1/20 0.66
CACNA1B Q00975 1/20 0.66
APBA1 Q02410 1/20 0.66
NLRP1 Q9C000 1/20 0.66
POLB P06746 2/20 0.61
DDX3X O00571 1/20 0.61
HTT P42858 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
NPC1 O15118 1/20 0.60
PKM P14618 1/20 0.60
CCR6 P51684 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58

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
SCHEMBL5149342 0.85 KMT2A (0.69) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL468012 0.85 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL6794151 0.83 MEN1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL6794156 0.83 MEN1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL23547197 0.80 TRPV1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL6754380 0.80 TRPV1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL6754378 0.80 TRPV1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL6474687 0.77 KMT2A (0.75) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL1047211 0.77 MEN1 (1.00) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL6860429 0.76 TRPV1 (0.76) KMT2AMEN1MAPTALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101489989-A Pentadiene amide derivative KYOWA HAKKO KIRIN CO LTD (JP) 2009-07-22 CN disclosed