SCHEMBL9920716

SCHEMBL9920716

CC(C)(C)N/C(=N/C(=O)c1ccc(Cl)c(F)c1)Nc1cc(C(F)F)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 4/20 0.45
PRKAG1 P54619 4/20 0.45
PRKAA2 P54646 4/20 0.45
PRKAA1 Q13131 4/20 0.45
PRKAG3 Q9UGI9 4/20 0.45
PRKAG2 Q9UGJ0 4/20 0.45
PRKAB1 Q9Y478 4/20 0.45
ALOX15 P16050 1/20 0.38
ALPL P05186 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
KCNE1 P15382 2/20 0.34
KCNQ1 P51787 2/20 0.34
KCNQ5 Q9NR82 1/20 0.34
MAOB P27338 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ANO1 Q5XXA6 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
SCHEMBL9920714 0.91 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9921068 0.88 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19360245 0.87 ALOX15 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9920874 0.85 ALOX15 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9921048 0.83 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18558358 0.80 HDAC6 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9920898 0.79 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9920713 0.78 CCNA2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9939779 0.77 MAOB (0.38) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL18558272 0.77 ALPL (0.40) ALPLKCNQ3KCNQ2KCNE1KCNQ1

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-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed