SCHEMBL7653207

SCHEMBL7653207

CN(Cc1nc2cc(C(=O)N(CC(=O)O)c3ccccn3)ccc2n1C)c1ccc(C(=N)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.64
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
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL505812 0.92 F2 (0.76) F2NQO2SLC22A2F10PLG
Hydrochloric Acid SCHEMBL6779136 0.89 NQO2 (0.65) F2NQO2SLC22A2F10PLG
Hydrochloric Acid SCHEMBL6780456 0.86 F2 (0.80) F2NQO2SLC22A2F10PLG
SCHEMBL13209600 0.85 NQO2 (0.77) F2NQO2SLC22A2F10PLG
SCHEMBL506557 0.85 F2 (0.86) F2NQO2SLC22A2F10PLG
Hydrochloric Acid SCHEMBL6777187 0.85 F2 (0.81) F2NQO2SLC22A2F10PLG
Hydrochloric Acid SCHEMBL6785149 0.85 NQO2 (0.76) F2NQO2SLC22A2F10PLG
Hydrochloric Acid SCHEMBL7662624 0.85 F2 (0.85) F2NQO2SLC22A2F10PLG
SCHEMBL505870 0.84 F2 (0.76) F2NQO2SLC22A2F10PLG
SCHEMBL505859 0.80 F2 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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