SCHEMBL5000845

SCHEMBL5000845

CC(C)C1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 20/20 1.00
PLG P00747 15/20 1.00
KLKB1 P03952 14/20 1.00
PRSS1 P07477 14/20 1.00
F2 P00734 13/20 1.00
PLAT P00750 12/20 1.00
KLK1 P06870 1/20 0.49

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
SCHEMBL7335846 0.81 PLAU (0.86) PLAUPLGKLKB1PRSS1F2
SCHEMBL5775525 0.79 PLAU (0.66) PLAUPLGKLKB1PRSS1F2
SCHEMBL5775530 0.79 PLAU (0.66) PLAUPLGKLKB1PRSS1F2
SCHEMBL5775756 0.78 PLAU (0.66) PLAUPLGKLKB1PRSS1F2
SCHEMBL7344221 0.78 PLAU (0.77) PLAUPLGKLKB1PRSS1F2
Trifluoroacetic Acid SCHEMBL7343926 0.76 PLAU (0.77) PLAUPLGKLKB1PRSS1F2
SCHEMBL7344370 0.75 PLAU (1.00) PLAUPLGKLKB1PRSS1F2
SCHEMBL30583187 0.73 PLAU (1.00) PLAUPLGKLKB1PRSS1F2
SCHEMBL4309463 0.73 PLAU (1.00) PLAUPLGKLKB1PRSS1F2
SCHEMBL4313402 0.72 PLAU (1.00) PLAUPLGKLKB1PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed