SCHEMBL27364050

SCHEMBL27364050

CCC(=O)c1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.34
GSK3B P49841 2/20 0.33
ALPL P05186 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.32
BRD4 O60885 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
HCAR2 Q8TDS4 3/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNA7 P36544 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLG P00747 1/20 0.31

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
SCHEMBL23855383 0.81 ALDH1A1 (0.40) ALPLLMNAMAPK1MEN1KMT2A
SCHEMBL27316081 0.80 MAPK1 (0.34) HCAR3GSK3BALPLCA12MAPK1
SCHEMBL5064411 0.79 ALPL (0.51) ALPLLMNAMEN1KMT2AKDM4E
SCHEMBL3452780 0.78 DYRK1A (0.34) ALPLCA12MAPK1
SCHEMBL1498674 0.78 ALPL (0.46) HCAR3ALPLCA12CA9HCAR2
SCHEMBL2790797 0.77 PLA2G10 (0.41) ALPLKMT2A
Hydrochloric Acid SCHEMBL31067451 0.77 ALPL (0.45) HCAR3ALPLCA12CA9HCAR2
SCHEMBL1498628 0.76 MAPK1 (0.59) ALPLLMNAMAPK1
SCHEMBL16629835 0.76 CHEK1 (0.51) GSK3BALPLBRD4MAPK1KDM4E
Hydrochloric Acid SCHEMBL31067680 0.75 PLA2G10 (0.40) ALPLKMT2A

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-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed