SCHEMBL8712014

SCHEMBL8712014

NC(=O)COc1ccc([N+](=O)[O-])cc1.NP(N)(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
KMT2A Q03164 4/20 0.54
POLB P06746 3/20 0.54
MEN1 O00255 3/20 0.54
CYP19A1 P11511 1/20 0.54
MAPT P10636 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL8626932 0.95 POLB (0.59) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL432126 0.86 CYP19A1 (0.67) ALDH1A1KMT2APOLBMEN1CYP19A1
SCHEMBL2836012 0.79 POLB (0.63) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL14846355 0.77 ALDH1A1 (0.68) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL7778609 0.76 ALDH1A1 (0.66) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL8631484 0.74 RAB9A (0.57) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL8628965 0.74 LMNA (0.56) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL8629515 0.74 ATF4 (0.56) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3999404 0.73 ALDH1A1 (0.76) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL11431170 0.73 PLA2G4B (0.68) ALDH1A1KMT2APOLBMEN1MAPT

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-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed