SCHEMBL8628785

SCHEMBL8628785

NP(N)(=O)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
CES1 P23141 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MITF O75030 1/20 0.50

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
SCHEMBL8709646 0.94 TSHR (0.69) TSHRMEN1KMT2APOLBCES1
SCHEMBL10936559 0.82 MPO (0.44) MEN1KMT2APOLBCA1CA2
SCHEMBL11426817 0.82 ALDH1A1 (0.56) TSHRMEN1KMT2APOLBCES1
SCHEMBL8706944 0.80 KMT2A (0.63) TSHRMEN1KMT2APOLBCES1
SCHEMBL165760 0.79 TSHR (0.62) TSHRMEN1KMT2APOLBCES1
SCHEMBL28723007 0.79 MEN1 (0.82) TSHRMEN1KMT2APOLBCES1
SCHEMBL27815181 0.79 MAPT (0.67) TSHRMEN1KMT2APOLBCES1
SCHEMBL296991 0.77 MEN1 (0.68) TSHRMEN1KMT2APOLBCES1
SCHEMBL10932097 0.77 KMT2A (0.44) TSHRMEN1KMT2ACES1CA1
SCHEMBL9592831 0.76 TSHR (0.63) TSHRMEN1KMT2APOLBCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4182881-A N-[Diaminophosphinyl]arylcarboxamides MORTON-NORWICH PRODUCTS, INC. (US) 1980-01-08 US claimed
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
US-4182881-A N-[Diaminophosphinyl]arylcarboxamides MORTON-NORWICH PRODUCTS, INC. (US) 1980-01-08 US disclosed