SCHEMBL24571306

SCHEMBL24571306

COC(=O)c1cc(OC)c2c(c1)nc(-c1cc3ccc([C@@H](C)N)nc3n1CC(C)(C)O)n2C

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.48

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
SCHEMBL29641256 1.00 PADI4 (0.48) PADI4
SCHEMBL24850177 0.87 PADI4 (0.45) PADI4
SCHEMBL23971305 0.87 PADI4 (0.47) PADI4
SCHEMBL24571312 0.87 PADI4 (0.48) PADI4
SCHEMBL30410919 0.85 PADI4 (0.45) PADI4
SCHEMBL23970986 0.85 PADI4 (0.45) PADI4
SCHEMBL28950725 0.83 PADI4 (0.43) PADI4
SCHEMBL30316103 0.83 PADI4 (0.43) PADI4
SCHEMBL23971325 0.83 PADI4 (0.43) PADI4
SCHEMBL23970989 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140390-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed