SCHEMBL23612062

SCHEMBL23612062

Nc1cnn(C2CCC(F)(F)CC2)c1.O=[N+]([O-])c1cnn(C2CCC(F)(F)CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
F2 P00734 2/20 0.33
PLAU P00749 2/20 0.33
ELANE P08246 2/20 0.33
KDM5A P29375 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 3/20 0.31
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PDE9A O76083 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
FLT3 P36888 1/20 0.30
SYK P43405 1/20 0.30
AURKB Q96GD4 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
SCHEMBL18283692 0.92 GSK3B (0.35) GSK3BDYRK1AF2PLAUELANE
SCHEMBL23612281 0.87 F2 (0.35) F2PLAUELANEKDM5AL3MBTL1
SCHEMBL17076859 0.85 GSK3B (0.38) GSK3BDYRK1AKDM5AACHEPDE9A
SCHEMBL21296411 0.85 HSP90AA1 (0.36) GABRA1GABRB2
SCHEMBL1703008 0.81 ALOX15 (0.39) GSK3BDYRK1AF2PLAUELANE
SCHEMBL23612287 0.79 GSK3B (0.31) GSK3BDYRK1AGABRA1GABRB2FLT3
SCHEMBL174612 0.79 F2 (0.41) F2PLAUELANEL3MBTL1ACHE
SCHEMBL23612179 0.78 F2 (0.36) F2PLAUELANEL3MBTL1ACHE
SCHEMBL27033461 0.78 F2 (0.35) F2PLAUELANEKDM5AL3MBTL1
SCHEMBL21296379 0.78 KDM5A (0.38) GSK3BDYRK1AKDM5AACHE

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
EP-4085061-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP disclosed
WO-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 WO disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 WO disclosed