SCHEMBL28964649

SCHEMBL28964649

C=CCCn1c(-c2nc3cc(C(=O)OC(C)C)cc(OC)c3n2C)cc2ccc(C(C)N)nc21

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.45

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
SCHEMBL30315981 1.00 PADI4 (0.45) PADI4
SCHEMBL23970685 1.00 PADI4 (0.45) PADI4
SCHEMBL30315934 0.95 PADI4 (0.44) PADI4
SCHEMBL23970407 0.95 PADI4 (0.44) PADI4
SCHEMBL28950616 0.95 PADI4 (0.44) PADI4
SCHEMBL23971104 0.93 PADI4 (0.44) PADI4
SCHEMBL28950686 0.93 PADI4 (0.44) PADI4
SCHEMBL23970920 0.89 PADI4 (0.42) PADI4
SCHEMBL28950609 0.89 PADI4 (0.42) PADI4
SCHEMBL30316013 0.89 PADI4 (0.42) PADI4

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-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed