SCHEMBL4577705

SCHEMBL4577705

CNC(=O)c1[c]c([N+](=O)[O-])ccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PLK1 P53350 1/20 0.34
MEN1 O00255 3/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
MITF O75030 1/20 0.33
JAK2 O60674 1/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL1360925 0.83 SMN1; SMN2 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL27310045 0.80 CA12 (0.39) SLC6A4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2204741 0.79 TP53 (0.42) ALDH1A1LMNAHTT
SCHEMBL58486 0.73 TSHR (0.46) ALDH1A1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL27349155 0.73 CA12 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL28802518 0.73 HDAC8 (0.40) HDAC8HDAC6ALDH1A1SMN1; SMN2PLK1
SCHEMBL10388333 0.72 HDAC8 (0.43) HDAC8HDAC6ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10387983 0.72 HDAC8 (0.39) HDAC8HDAC6ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7583776 0.69 PLK1 (0.42) HDAC8HDAC6ALDH1A1SMN1; SMN2PLK1
SCHEMBL261451 0.69 TDP1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPT

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
CN-101203484-A Amide derivative and pesticide containing such compound MITSUI CHEMICALS INC (JP) 2008-06-18 CN disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP disclosed