SCHEMBL348736

SCHEMBL348736

[CH2]c1ccc(NC(=N)N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
PEPD P12955 1/20 0.37
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
TP53 P04637 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
SCHEMBL1996992 0.87 F2 (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL399197 0.80 KIF11 (0.48) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1438380 0.78 MAPT (0.56) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL447770 0.78 PEPD (0.60) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6880468 0.78 F2 (0.43) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL9559047 0.77 IDO1 (0.35) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL10495490 0.76 MAPT (0.54) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL10815124 0.76 PRSS1 (0.69) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL166139 0.76 KIF11 (0.55) NPC1CYP3A4CYP2C19MAPTRAB9A
SCHEMBL1184889 0.76 SIGMAR1 (0.53) 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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627925-B1 TRYPSIN INHIBITORS DENDREON CORP (US) 2004-09-29 EP claimed
US-6723788-B1 Enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-04-20 US claimed
EP-1212034-A1 ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-06-12 EP claimed
WO-2001017501-A1 ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-03-15 WO claimed
US-6030978-A EXHIBIT FUNGICIDAL EFFECT OR GROWTH-INHIBITORY EFFECT AGAINST FUNGI INCLUDING CUTANEOUS FILAMENTOUS FUNGUS, SUCH AS EPIDERMOPHYTON, MICROSPORUM, TRICHOPHYTON, SPOROTHRIX SCHENCKII, ASPERGILLUS OR CANDIDA; NONTOXICITY; HANWHA CORPORATION (KR) 2000-02-29 US claimed
US-6008356-A BRBERINE SALT DERIVATIVE IS REACTED WITH SODIUM TETRABORATE AND POTASSIUM CARBONATE IN ALCOHOL SOLVEANT TO FORM INTERMEDIATE, REACTING INTERMEDIATE WITH ALKYL SUBSTITUENT IN ACETONITRILE SOLVENT, OXIDIZING THE FORMED INTERMEDIATE HANWHA CORPORATION (KR) 1999-12-28 US claimed
US-5952307-A Basic α-aminoalkylphosphonate derivatives GEORGIA TECH RESEARCH CORP. (US) 1999-09-14 US claimed
EP-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP claimed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO claimed
US-5686419-A SERINE PROTEASE INHIBITOR ANTICOAGULANTS GEORGIA TECH RESEARCH CORP. (US) 1997-11-11 US claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-4258040-A Cephalosporin compounds MERCK & CO., INC. (US) 1981-03-24 US claimed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US claimed