SCHEMBL24572010

SCHEMBL24572010

COc1cc(C(=O)O)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)OC(C)(C)C)nc4n3CC3CC3)n(C)c12

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.53

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
SCHEMBL29641138 1.00 PADI4 (0.53) PADI4
SCHEMBL24572007 0.92 PADI4 (0.52) PADI4
SCHEMBL29641155 0.92 PADI4 (0.52) PADI4
SCHEMBL24571788 0.91 PADI4 (0.55) PADI4
SCHEMBL24571756 0.88 PADI4 (0.54) PADI4
SCHEMBL29641073 0.88 PADI4 (0.50) PADI4
SCHEMBL24571755 0.86 PADI4 (0.54) PADI4
SCHEMBL30411059 0.86 PADI4 (0.39) PADI4
SCHEMBL24850573 0.86 PADI4 (0.39) PADI4
SCHEMBL29187919 0.86 PADI4 (0.39) 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