SCHEMBL8631484

SCHEMBL8631484

COc1ccc(OCC(=O)NP(N)(N)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
PKM P14618 1/20 0.52
POLB P06746 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
ALPL P05186 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL8629515 0.83 ATF4 (0.56) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL8628965 0.83 LMNA (0.56) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL5434584 0.81 ALDH1A1 (0.63) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL8629744 0.81 KMT2A (0.56) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL8626932 0.78 POLB (0.59) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL8654252 0.77 CA1 (0.65) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL3726972 0.75 UBE2N (0.59) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1031505 0.74 MAPT (0.58) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL12061812 0.74 GAA (0.66) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL8712014 0.74 ALDH1A1 (0.56) MAPTKMT2AMEN1ALDH1A1L3MBTL1

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