SCHEMBL7922546

SCHEMBL7922546

[NH]C(=O)c1ccc(NC(=N)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.57
PRSS1 P07477 3/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
TMPRSS6 Q8IU80 1/20 0.57
ST14 Q9Y5Y6 1/20 0.57
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
APEX1 P27695 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLAU P00749 4/20 0.44
PLG P00747 3/20 0.44
PLAT P00750 2/20 0.44
KLKB1 P03952 2/20 0.44
F10 P00742 1/20 0.44
PEPD P12955 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL1999045 0.85 F2 (0.59) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL24891830 0.83 KMT2A (0.64) F2PRSS1PRSS2PRSS3TMPRSS6
4-Guanidino-Benzoic Acid SCHEMBL211005 0.83 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7913893 0.83 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL11226180 0.83 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1996992 0.82 F2 (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6931409 0.82 MAPT (0.56) F2PRSS1PRSS2PRSS3TMPRSS6
4-Guanidino-Benzoic Acid SCHEMBL22127093 0.82 F2 (0.55) F2PRSS1PRSS2PRSS3TMPRSS6
4-Guanidino-Benzoic Acid SCHEMBL273175 0.82 F2 (0.55) F2PRSS1PRSS2PRSS3TMPRSS6
4-Guanidino-Benzoic Acid SCHEMBL11123754 0.82 F2 (0.55) F2PRSS1PRSS2PRSS3TMPRSS6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821689-B1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN INC (US) 2001-07-04 EP claimed
EP-0821689-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS Drug Innovation & Design, Inc. (US) 1998-02-04 EP claimed
US-5659061-A Tumor protease activated prodrugs of phosphoramide mustard analogs with toxification and detoxification functionalities DRUG INNOVATION & DESIGN, INC. (US) 1997-08-19 US claimed
WO-1996033198-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN, INC. (US) 1996-10-24 WO claimed
EP-0821689-B1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN INC (US) 2001-07-04 EP disclosed
EP-0821689-B1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN INC (US) 2001-07-04 EP disclosed
EP-0821689-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS Drug Innovation & Design, Inc. (US) 1998-02-04 EP disclosed
EP-0821689-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS Drug Innovation & Design, Inc. (US) 1998-02-04 EP disclosed
US-5659061-A Tumor protease activated prodrugs of phosphoramide mustard analogs with toxification and detoxification functionalities DRUG INNOVATION & DESIGN, INC. (US) 1997-08-19 US disclosed
US-5659061-A Tumor protease activated prodrugs of phosphoramide mustard analogs with toxification and detoxification functionalities DRUG INNOVATION & DESIGN, INC. (US) 1997-08-19 US disclosed
WO-1996033198-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN, INC. (US) 1996-10-24 WO disclosed
WO-1996033198-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN, INC. (US) 1996-10-24 WO disclosed