SCHEMBL7410122

SCHEMBL7410122

COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
PKM P14618 1/20 0.66
DDX3X O00571 1/20 0.64
KMT2A Q03164 5/20 0.64
LMNA P02545 4/20 0.62
MAPT P10636 2/20 0.62
KCNMA1 Q12791 1/20 0.62
MEN1 O00255 3/20 0.61
MAPK1 P28482 2/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
EPHX1 P07099 1/20 0.58
ALDH1A1 P00352 2/20 0.58
RAB9A P51151 1/20 0.58
RAF1 P04049 1/20 0.58
GLA P06280 1/20 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
SCHEMBL29776993 0.86 LMNA (0.72) HTTPKMKMT2ALMNAMAPT
SCHEMBL12305610 0.86 LMNA (0.72) HTTPKMKMT2ALMNAMAPT
SCHEMBL3462263 0.86 KMT2A (0.81) HTTPKMKMT2ALMNAMAPT
SCHEMBL17978450 0.83 HTT (0.60) HTTPKMKMT2ALMNAMAPT
SCHEMBL5594951 0.83 HTT (0.71) HTTPKMKMT2ALMNAMAPT
SCHEMBL5594962 0.83 MEN1 (0.72) HTTDDX3XKMT2ALMNAMAPT
SCHEMBL16592441 0.83 PKM (0.78) HTTPKMKMT2ALMNAMAPT
SCHEMBL16592442 0.83 PKM (0.78) HTTPKMKMT2ALMNAMAPT
SCHEMBL6820169 0.82 KMT2A (0.68) HTTPKMKMT2ALMNAMAPT
SCHEMBL3710415 0.82 KMT2A (0.68) HTTPKMKMT2ALMNAMAPT

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-1173415-A1 DIPHENYLUREA DERIVATIVES AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000064866-A1 DIPHENYLUREA DERIVATIVES ASTRAZENECA AB (SE) 2000-11-02 WO disclosed