SCHEMBL8629907

SCHEMBL8629907

Cc1cc(C(=O)NP(N)(N)=O)sc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 4/20 0.36
HDAC4 P56524 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36

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
SCHEMBL8627665 0.83 MEN1 (0.53) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8633480 0.80 DAO (0.56) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL22870146 0.79 KDM4E (0.54) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL1630492 0.74 KDR (0.42) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8630205 0.73 ALDH1A1 (0.37) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL45690 0.72 MAPT (0.42) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL1472954 0.72 DAO (0.63) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL261464 0.72 CSNK2A2 (0.45) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8630018 0.70 ALDH1A1 (0.65) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL8632018 0.70 GAA (0.54) KDM4EMAPTMEN1KMT2AALDH1A1

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