SCHEMBL28348577

SCHEMBL28348577

CCOC(=O)C1C=CC=CC1(NC(=O)c1cn(C)nc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.37
BACE1 P56817 4/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
DGAT1 O75907 9/20 0.33
STING1 Q86WV6 1/20 0.33

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
SCHEMBL28345080 0.87 LMNA (0.41) LMNAPOLBGAABACE1BACE2
SCHEMBL28345182 0.87 ACACB (0.32)
SCHEMBL28348087 0.86 LMNA (0.43) LMNAPOLBGAABACE1BACE2
SCHEMBL28345167 0.86 LMNA (0.40) LMNAPOLBGAABACE1BACE2
SCHEMBL28345531 0.83 LMNA (0.38) LMNAPOLBGAABACE1BACE2
SCHEMBL28350649 0.80 LMNA (0.40) LMNAPOLBGAABACE1BACE2
SCHEMBL28348147 0.80 LMNA (0.44) LMNAPOLBGAABACE1BACE2
SCHEMBL28958595 0.78 LMNA (0.42) LMNAPOLBGAABACE1BACE2
SCHEMBL28350304 0.78 LMNA (0.42) LMNAPOLBGAABACE1BACE2
SCHEMBL13516088 0.78 LMNA (0.43) LMNAPOLBGAABACE1BACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110615765-B (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof 浙江工业大学 2021-06-25 CN disclosed
CN-110615765-A (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof 浙江工业大学 2019-12-27 CN disclosed