SCHEMBL2339824

SCHEMBL2339824

CC(C)(C)OC(=O)N/C(N)=N/S(=O)(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.50
PRSS1 P07477 5/20 0.50
PRSS2 P07478 5/20 0.50
PRSS3 P35030 5/20 0.50
CA12 O43570 6/20 0.36
CA14 Q9ULX7 4/20 0.36
CA1 P00915 7/20 0.33
CA2 P00918 6/20 0.33
CA7 P43166 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
APLNR P35414 1/20 0.30
CA9 Q16790 2/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL2339827 1.00 F2 (0.50) F2PRSS1PRSS2PRSS3CA12
SCHEMBL446590 0.83 F2 (0.44) F2PRSS1PRSS2PRSS3CA12
SCHEMBL2615565 0.82 F2 (0.43) F2PRSS1PRSS2PRSS3CA12
SCHEMBL15893686 0.82 F2 (0.43) F2PRSS1PRSS2PRSS3CA12
SCHEMBL2369612 0.78 F2 (0.40) F2PRSS1PRSS2PRSS3CA12
SCHEMBL2369616 0.78 F2 (0.40) F2PRSS1PRSS2PRSS3CA12
SCHEMBL16298358 0.78 F2 (0.40) F2PRSS1PRSS2PRSS3CA12
SCHEMBL14493144 0.77 F2 (0.39) F2PRSS1PRSS2PRSS3CA12
SCHEMBL7370215 0.76 F2 (0.56) F2PRSS1PRSS2PRSS3
SCHEMBL29539627 0.75 F2 (0.44) F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498723-A1 NEW EFFECTIVE AMINOGLYCOSIDE ANTIBIOTIC FOR MULTIDRUG-RESISTANT BACTERIA Microbial Chemistry Research Foundation (JP) 2019-06-19 EP disclosed
WO-2017032892-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODCUTION AND USE THEREOF UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2017-03-02 WO disclosed
EP-3018125-A1 NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR Shin Nippon Biomedical Laboratories, Ltd. (JP) 2016-05-11 EP disclosed
EP-2534138-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS Universita' Degli Studi di Firenze (IT) 2012-12-19 EP disclosed
WO-2011098603-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2011-08-18 WO disclosed
WO-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed