SCHEMBL28875780

SCHEMBL28875780

CC(C(O)C(=O)NCC1CC1)N(C=O)c1ccccc1CN

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.39
PRSS1 P07477 12/20 0.39
F2 P00734 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NMBR P28336 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
SCHEMBL19974932 0.86 L3MBTL1 (0.38) F10PRSS1F2MEN1KMT2A
SCHEMBL19974925 0.85 MEN1 (0.39) F10PRSS1MEN1KMT2A
SCHEMBL19974960 0.85 PTGIR (0.41) F10PRSS1MEN1KMT2A
SCHEMBL19975274 0.83 PTGIR (0.41) F10PRSS1MEN1KMT2A
SCHEMBL19975415 0.83 HPGD (0.42) F10PRSS1
SCHEMBL28315360 0.82 CYP2C19 (0.33) F10PRSS1F2MEN1KMT2A
SCHEMBL28316085 0.82 CYP2C19 (0.33) F10PRSS1F2MEN1KMT2A
SCHEMBL28315915 0.81 F10 (0.39) F10PRSS1F2
SCHEMBL28316683 0.80 F10 (0.41) F10PRSS1F2
SCHEMBL19975353 0.79 BCHE (0.45) MEN1KMT2A

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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed