SCHEMBL27364059

SCHEMBL27364059

CC(=O)c1cnn(Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SCD O00767 3/20 0.43
SCD5 Q86SK9 3/20 0.43
KLKB1 P03952 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
CREBBP Q92793 1/20 0.39
ACHE P22303 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM2 Q14416 1/20 0.39
ALK Q9UM73 1/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL27379738 0.86 L3MBTL1 (0.51) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL752774 0.85 LMNA (0.61) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL27379736 0.82 GRM2 (0.55) LMNAALDH1A1KLKB1L3MBTL1HSD17B10
SCHEMBL27364069 0.82 KLKB1 (0.44) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL27364070 0.81 KLKB1 (0.55) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL13692389 0.78 L3MBTL1 (0.54) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL19300037 0.78 HSD17B10 (0.51) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL27364065 0.78 KLKB1 (0.41) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL17229366 0.77 KLKB1 (0.51) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL27364232 0.77 KLKB1 (0.53) LMNAMAPTALDH1A1MAPK1HTT

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