SCHEMBL24568634

SCHEMBL24568634

COc1cc(C(=O)O)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)C(C)(C)C)nc4n3CC3CC3)c(C)n12

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.63

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
SCHEMBL24568631 0.92 PADI4 (0.59) PADI4
SCHEMBL29642325 0.90 PADI4 (0.63) PADI4
SCHEMBL24567711 0.90 PADI4 (0.63) PADI4
SCHEMBL24568591 0.89 PADI4 (0.64) PADI4
SCHEMBL24568446 0.87 PADI4 (0.76) PADI4
SCHEMBL24568046 0.87 PADI4 (0.60) PADI4
SCHEMBL29642340 0.87 PADI4 (0.60) PADI4
SCHEMBL24568542 0.87 PADI4 (0.60) PADI4
SCHEMBL24567936 0.86 PADI4 (0.63) PADI4
SCHEMBL24567849 0.86 PADI4 (0.82) 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-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed