SCHEMBL8626932

SCHEMBL8626932

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 7/20 0.58
MAPT P10636 3/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
PTGS2 P35354 1/20 0.52
PKM P14618 1/20 0.52
THRB P10828 1/20 0.52
MCL1 Q07820 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52

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
SCHEMBL8712014 0.95 ALDH1A1 (0.56) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL2836012 0.83 POLB (0.63) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL7778609 0.80 ALDH1A1 (0.66) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8631484 0.78 RAB9A (0.57) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8629515 0.78 ATF4 (0.56) KMT2AMEN1ALDH1A1
SCHEMBL8628965 0.78 LMNA (0.56) KMT2AMEN1ALDH1A1MAPTTHRB
SCHEMBL14846355 0.78 ALDH1A1 (0.68) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL432126 0.78 CYP19A1 (0.67) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL3999404 0.78 ALDH1A1 (0.76) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL11431170 0.77 PLA2G4B (0.68) POLBKMT2AMEN1ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed