SCHEMBL13433869

SCHEMBL13433869

O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccco1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.69
MEN1 O00255 11/20 0.69
MAPT P10636 5/20 0.69
LMNA P02545 3/20 0.69
KDM4E B2RXH2 1/20 0.69
POLB P06746 2/20 0.68
THRB P10828 1/20 0.68
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
PAX8 Q06710 2/20 0.61
RAB9A P51151 1/20 0.58
HTT P42858 1/20 0.58
HSPD1 P10809 1/20 0.57
HSPE1 P61604 1/20 0.57
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
PTPN11 Q06124 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL6458171 0.89 KMT2A (0.77) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL13219583 0.83 PTPN1 (0.75) KMT2AMEN1MAPTPOLBTHRB
SCHEMBL22982738 0.78 KMT2A (0.65) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL7718019 0.78 KMT2A (0.69) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL7712096 0.77 RAB9A (0.69) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL13219558 0.77 ALDH1A1 (0.81) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL10752115 0.77 ALDH1A1 (0.73) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL7716926 0.77 KMT2A (0.70) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL1455278 0.77 RAB9A (0.69) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL7716920 0.77 ALDH1A1 (0.73) KMT2AMEN1MAPTLMNAKDM4E

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
WO-2010041665-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学工業株式会社 (JP) 2010-04-15 WO disclosed