SCHEMBL8628975

SCHEMBL8628975

COC(=O)c1sccc1C(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 3/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK10 P53779 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 3/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL13145506 0.87 KMT2A (0.56) KMT2ANPC1L3MBTL1RAB9AMEN1
SCHEMBL8627524 0.84 KMT2A (0.53) KMT2ANPC1L3MBTL1RAB9AMEN1
SCHEMBL15203323 0.83 KMT2A (0.51) KMT2ANPC1L3MBTL1RAB9AMEN1
SCHEMBL14720965 0.83 KMT2A (0.51) KMT2ANPC1L3MBTL1RAB9AMEN1
SCHEMBL21914142 0.81 KMT2A (0.58) KMT2ANPC1L3MBTL1RAB9AMEN1
SCHEMBL2083349 0.79 KMT2A (0.39) KMT2AL3MBTL1RAB9AMEN1CYP1A2
SCHEMBL12225720 0.79 AXL (0.44) KMT2ANPC1L3MBTL1RAB9AMEN1
SCHEMBL22004182 0.79 KMT2A (0.59) KMT2ANPC1L3MBTL1RAB9AMEN1
SCHEMBL16811765 0.77 KMT2A (0.46) KMT2ANPC1L3MBTL1RAB9AMEN1
SCHEMBL2082605 0.76 GSK3B (0.41) KMT2ANPC1RAB9AMEN1CYP1A2

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