SCHEMBL28350366

SCHEMBL28350366

Cn1cc(C(=O)NC2(C)C=CC=CC2C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.38
BACE1 P56817 5/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
STING1 Q86WV6 1/20 0.36
NTRK1 P04629 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
DGAT1 O75907 4/20 0.32
WDR5 P61964 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
SCHEMBL28354213 1.00 LMNA (0.45) LMNAPOLBGAABACE1BACE2
SCHEMBL28345080 0.87 LMNA (0.41) LMNAPOLBGAABACE1BACE2
SCHEMBL28350649 0.85 LMNA (0.40) LMNAPOLBGAABACE1BACE2
SCHEMBL28958595 0.83 LMNA (0.42) LMNAPOLBGAABACE1BACE2
SCHEMBL28350304 0.83 LMNA (0.42) LMNAPOLBGAABACE1BACE2
SCHEMBL28350664 0.83 ACACB (0.33) IRAK4
SCHEMBL28354451 0.79 LMNA (0.48) LMNAPOLBGAABACE1BACE2
SCHEMBL28354437 0.79 LMNA (0.48) LMNAPOLBGAABACE1BACE2
SCHEMBL28348577 0.76 LMNA (0.41) LMNAPOLBGAABACE1BACE2
SCHEMBL28348087 0.76 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-110734403-B (S) -2- (1H-pyrazole-4-formamido) propyl benzoate compound and preparation method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2021-08-31 CN disclosed
CN-110734403-A (S) -2- (1H-pyrazole-4-formamido) propyl benzoate compound and preparation method and application thereof 浙江工业大学 2020-01-31 CN disclosed