SCHEMBL8633480

SCHEMBL8633480

Cc1cc(C(=O)NP(N)(N)=O)sc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.56
KDM4E B2RXH2 5/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HDAC3 O15379 4/20 0.33
HDAC4 P56524 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 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
SCHEMBL8631463 0.83 DAO (0.53) DAOKDM4EALDH1A1HDAC3HDAC4
SCHEMBL8630205 0.80 ALDH1A1 (0.37) DAOKDM4EMAPTHPGDHTT
SCHEMBL8629907 0.80 KDM4E (0.37) DAOKDM4EMAPTHPGDHTT
SCHEMBL8634456 0.75 MAPT (0.41) DAOKDM4EMAPTHPGDHTT
SCHEMBL10859551 0.72 DAO (0.70) DAOKDM4EMAPTALDH1A1MEN1
SCHEMBL1529585 0.72 DAO (1.00) DAOKDM4EMAPTHPGDALDH1A1
SCHEMBL3061508 0.72 DAO (0.70) DAOKDM4EMAPTHPGDHTT
SCHEMBL16302070 0.72 DAO (0.69) DAOKDM4EMAPTHPGDHSD17B10
SCHEMBL8629681 0.70 F2 (0.57) DAOKDM4EMAPTHPGDALDH1A1
SCHEMBL6375945 0.70 KMT2A (0.53) DAOKDM4EMAPTHPGDHTT

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