SCHEMBL6784897

SCHEMBL6784897

Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(S(=O)(=O)N(CCC(=O)O)c3ccccc3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.72
NQO2 P16083 2/20 0.64
SLC22A2 O15244 1/20 0.64
F10 P00742 1/20 0.64
PLG P00747 1/20 0.64
PLAT P00750 1/20 0.64
PROC P04070 1/20 0.64
HPN P05981 1/20 0.64
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64
SLC47A2 Q86VL8 1/20 0.64
SLC47A1 Q96FL8 1/20 0.64
KLK1 P06870 1/20 0.58
KLK5 Q9Y337 1/20 0.58

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
Hydrochloric Acid SCHEMBL6779711 0.91 NQO2 (0.65) F2NQO2SLC22A2F10PLG
SCHEMBL6779434 0.90 F2 (0.61) F2NQO2SLC22A2F10PLG
SCHEMBL6637006 0.85 F2 (0.75) F2NQO2SLC22A2F10PLG
SCHEMBL505887 0.84 F2 (1.00) F2NQO2SLC22A2F10PLG
SCHEMBL505899 0.82 F2 (1.00) F2NQO2SLC22A2F10PLG
Hydrochloric Acid SCHEMBL6778118 0.81 F2 (0.98) F2NQO2SLC22A2F10PLG
Hydrochloric Acid SCHEMBL6778817 0.81 NQO2 (0.58) F2NQO2SLC22A2F10PLG
SCHEMBL506727 0.81 F2 (0.89) F2NQO2SLC22A2F10PLG
Hydrochloric Acid SCHEMBL6784210 0.80 F2 (0.88) F2NQO2SLC22A2F10PLG
SCHEMBL6639400 0.80 F2 (0.63) F2NQO2SLC22A2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710055-B2 INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2004-03-23 US disclosed
EP-0966454-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-07 EP disclosed
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 US disclosed
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US disclosed