SCHEMBL26906599

SCHEMBL26906599

CCn1ncc(OC(F)F)c(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
CRHR1 P34998 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
BRD4 O60885 1/20 0.32
BPTF Q12830 1/20 0.32
KCNH2 Q12809 2/20 0.31
GRIN2B Q13224 9/20 0.31
GRIN1 Q05586 8/20 0.31
RORC P51449 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
NR2E3 Q9Y5X4 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
SCHEMBL12497134 0.72 GAA (0.45) GAAKMT2AALDH1A1LMNAPDE1A
SCHEMBL15041024 0.71 BACE1 (0.32) CRHR1PDE1APDE1BPDE1CGRIN2B
SCHEMBL10572472 0.69 KMT2A (0.50) GAAKMT2AALDH1A1LMNABRD4
SCHEMBL981480 0.66 KMT2A (0.54) GAAKMT2AALDH1A1LMNAPDE1A
SCHEMBL12826268 0.66 GAA (0.40) GAAKMT2AALDH1A1PDE1APDE1B
SCHEMBL10366469 0.66 GAA (0.50) GAAKMT2AALDH1A1LMNABRD4
SCHEMBL21281700 0.65 HTT (0.44) GAAKMT2AALDH1A1LMNAPDE1A
SCHEMBL12826267 0.65 GAA (0.53) GAAKMT2AALDH1A1LMNABRD4
SCHEMBL8281636 0.65 ALDH1A1 (0.39) KMT2AALDH1A1LMNABPTFMEN1
SCHEMBL23459964 0.62 KMT2A (0.41) KMT2AALDH1A1LMNAMEN1

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
EP-4284801-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed