SCHEMBL9299762

SCHEMBL9299762

C=C(C)C(=O)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 6/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 3/20 0.45
POLB P06746 3/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
GPR35 Q9HC97 4/20 0.44
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 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
SCHEMBL9131146 0.78 MAPT (0.36) KMT2AHTTMEN1MAPTALDH1A1
SCHEMBL28274064 0.75 TGM2 (0.57) KMT2AHTTMEN1MAPTALDH1A1
SCHEMBL13921951 0.75 SMN1; SMN2 (0.44) KMT2AHTTMEN1MAPTALDH1A1
SCHEMBL1285514 0.74 MAPT (0.56) KMT2AHTTMEN1MAPTALDH1A1
SCHEMBL5005472 0.73 KMT2A (0.62) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL30856804 0.72 SMN1; SMN2 (0.72) KMT2AHTTMEN1MAPTALDH1A1
SCHEMBL2144155 0.72 ALDH1A1 (0.43) KMT2AHTTMEN1MAPTALDH1A1
SCHEMBL3305172 0.71 MAPT (0.51) KMT2AHTTMEN1MAPTALDH1A1
SCHEMBL28688793 0.71 GPR35 (0.53) KMT2AHTTMEN1MAPTALDH1A1
SCHEMBL30613334 0.71 MAPT (0.51) KMT2AHTTMEN1MAPTALDH1A1

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
US-5316704-A Deformed into elongation configuration; surgery insertion KABI PHARMACIA OPHTHALMICS INC. (US) 1994-05-31 US claimed