SCHEMBL24568320

SCHEMBL24568320

COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccc(N(C)S(C)(=O)=O)nc4n3CC3CC3)c(C)n12

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.57

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
SCHEMBL24568324 0.92 PADI4 (0.56) PADI4
SCHEMBL24568960 0.91 PADI4 (0.55) PADI4
SCHEMBL24568565 0.88 PADI4 (0.48) PADI4
SCHEMBL24568973 0.88 PADI4 (0.50) PADI4
SCHEMBL24568414 0.88 PADI4 (0.63) PADI4
SCHEMBL24568967 0.88 PADI4 (0.54) PADI4
SCHEMBL24568932 0.87 PADI4 (0.62) PADI4
SCHEMBL24568008 0.87 PADI4 (0.61) PADI4
SCHEMBL24568569 0.86 PADI4 (0.49) PADI4
SCHEMBL24568567 0.86 PADI4 (0.48) 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