SCHEMBL23167656

SCHEMBL23167656

O=C(O)c1c[nH]c2cc(F)c(Br)cc12.[N-]=[N+]=NC(=O)c1c[nH]c2cc(F)c(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 14/20 0.43
▸ PRKAG1 P54619 14/20 0.43
▸ PRKAA2 P54646 14/20 0.43
▸ PRKAA1 Q13131 14/20 0.43
▸ PRKAG3 Q9UGI9 14/20 0.43
▸ PRKAG2 Q9UGJ0 14/20 0.43
▸ PRKAB1 Q9Y478 14/20 0.43
▸ F7 P08709 1/20 0.37
▸ F3 P13726 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ IDO1 P14902 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL23167977 0.96 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23167845 0.85 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23168126 0.80 AAK1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22790098 0.79 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17242475 0.77 KDM4E (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23612262 0.75 F7 (0.49) F7F3KDM4EALDH1A1HPGD
SCHEMBL23167556 0.75 NR4A2 (0.56) F7F3MEN1KMT2A
SCHEMBL23612152 0.75 KDM4E (0.54) F7F3KDM4EALDH1A1HPGD
SCHEMBL23612237 0.74 F7 (0.71) F7F3
SCHEMBL24969847 0.74 ALDH1A1 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 — — WO disclosed
Send feedback