SCHEMBL27364065

SCHEMBL27364065

CC(=O)c1cnn(Cc2cc(F)c(F)cc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.41
ACHE P22303 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.36
AR P10275 1/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.34
GRIN2B Q13224 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
SCHEMBL25383292 0.87 L3MBTL1 (0.50) KLKB1ACHEMAPTALDH1A1L3MBTL1
SCHEMBL25381150 0.85 L3MBTL1 (0.42) KLKB1ACHEMAPTALDH1A1L3MBTL1
SCHEMBL27364247 0.82 MAPT (0.53) KLKB1MAPTALDH1A1LMNAMAPK1
SCHEMBL25381515 0.82 GRM2 (0.47) KLKB1ACHELMNAL3MBTL1NPSR1
SCHEMBL27286140 0.81 ALDH1A1 (0.62) KLKB1MAPTALDH1A1LMNAMAPK1
SCHEMBL27364070 0.80 KLKB1 (0.55) KLKB1MAPTALDH1A1LMNAMAPK1
SCHEMBL27286135 0.79 MAPT (0.43) KLKB1ACHEMAPTALDH1A1LMNA
SCHEMBL27364059 0.78 LMNA (0.49) KLKB1ACHEMAPTALDH1A1LMNA
SCHEMBL28008334 0.76 KLKB1 (0.44) KLKB1ACHEMAPTALDH1A1L3MBTL1
SCHEMBL27364069 0.75 KLKB1 (0.44) KLKB1MAPTALDH1A1LMNAMAPK1

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