SCHEMBL24567704

SCHEMBL24567704

C=Cc1ccc2cc(-c3nc4cc(C(=O)O)cc(OC)n4c3C)n(CC3CC3)c2n1

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
SCHEMBL24568064 0.93 PADI4 (0.52) PADI4
SCHEMBL24568059 0.87 PADI4 (0.52) PADI4
SCHEMBL24567667 0.87 PADI4 (0.52) PADI4
SCHEMBL29642300 0.87 PADI4 (0.52) PADI4
SCHEMBL24568569 0.83 PADI4 (0.49) PADI4
SCHEMBL24568634 0.80 PADI4 (0.63) PADI4
SCHEMBL24567715 0.80 PADI4 (0.48) PADI4
SCHEMBL29642325 0.80 PADI4 (0.63) PADI4
SCHEMBL24567711 0.80 PADI4 (0.63) PADI4
SCHEMBL24568013 0.80 PADI4 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267587-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES Gilead Sciences, Inc. (US) 2023-11-01 EP disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed