SCHEMBL8627665

SCHEMBL8627665

NP(N)(=O)NC(=O)c1cc(Br)c(Br)s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GSK3B P49841 2/20 0.49
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.35
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL8629907 0.83 KDM4E (0.37) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8630018 0.73 ALDH1A1 (0.65) MAPTALDH1A1LMNAGSK3BNPSR1
SCHEMBL8632018 0.73 GAA (0.54) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL10935147 0.72 HDAC1 (0.43) KMT2AMAPTPOLBALDH1A1KDM4E
SCHEMBL5010509 0.72 GSK3B (0.59) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8650621 0.71 MEN1 (0.53) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8631463 0.71 DAO (0.53) ALDH1A1KDM4EGSK3B
SCHEMBL9777829 0.71 MEN1 (0.52) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8651250 0.70 GSK3B (0.61) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL899479 0.70 GSK3B (0.61) MEN1KMT2AMAPTPOLBALDH1A1

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 3 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
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