SCHEMBL11027009

SCHEMBL11027009

C=C(C)C(=O)OCCc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 6/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 4/20 0.42
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
THRB P10828 1/20 0.41
POLB P06746 2/20 0.40
GPR35 Q9HC97 2/20 0.39
CYP1A2 P05177 2/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TTR P02766 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL11027986 0.92 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL11029734 0.86 KMT2A (0.42) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL11029071 0.84 THRB (0.41) ALDH1A1MAPTHTTL3MBTL1TDP1
SCHEMBL11025473 0.84 ALDH1A1 (0.40) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL11026162 0.84 ALDH1A1 (0.56) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL11027638 0.83 THRB (0.42) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL11023135 0.81 ALDH1A1 (0.47) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL14937363 0.81 HTT (0.43) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL11028007 0.80 THRB (0.42) KMT2AALDH1A1MEN1HTTTDP1
SCHEMBL11028657 0.80 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTMAPK1

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
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed