SCHEMBL23612281

SCHEMBL23612281

Nc1cnn(C2CC(F)(F)C2)c1.O=[N+]([O-])c1cnn(C2CC(F)(F)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.35
PLAU P00749 2/20 0.35
ELANE P08246 2/20 0.35
KDM1A O60341 1/20 0.33
KDM5A P29375 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23612179 0.92 F2 (0.36) F2PLAUELANEKDM1AMGAM
SCHEMBL23612062 0.87 GSK3B (0.34) F2PLAUELANEKDM5AMGAM
SCHEMBL23612150 0.84 KDM5A (0.36) KDM5A
SCHEMBL23612219 0.84 MPO (0.36) F2PLAUELANEKDM1AMGAM
SCHEMBL27033461 0.80 F2 (0.35) F2PLAUELANEKDM5AGAA
SCHEMBL1703008 0.78 ALOX15 (0.39) F2PLAUELANEKDM5AGAA
SCHEMBL18283692 0.78 GSK3B (0.35) F2PLAUELANEMGAMGAA
SCHEMBL16974773 0.76 F2 (0.37) F2PLAUELANEKDM1AMGAM
SCHEMBL26500110 0.76 KDM5A (0.34) KDM5A
SCHEMBL17199541 0.75 F2 (0.35) F2PLAUELANEMGAMGAA

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-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 WO disclosed