SCHEMBL28555404

SCHEMBL28555404

COC(=O)c1cc(OC)c2c(c1)nc(-c1cc3ccc(C(C)=NO)nc3n1CC1CC1)n2C

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.64

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
SCHEMBL30113616 1.00 PADI4 (0.64) PADI4
SCHEMBL24789802 1.00 PADI4 (0.64) PADI4
SCHEMBL29641249 0.92 PADI4 (0.68) PADI4
SCHEMBL21683077 0.92 PADI4 (0.68) PADI4
SCHEMBL18940608 0.87 PADI4 (0.63) PADI4
SCHEMBL21683090 0.86 PADI4 (0.62) PADI4
SCHEMBL29641151 0.86 PADI4 (0.62) PADI4
SCHEMBL24571311 0.86 PADI4 (0.62) PADI4
SCHEMBL21683072 0.85 PADI4 (0.51) PADI4
SCHEMBL21683073 0.85 PADI4 (0.51) 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
CN-112805067-A Indole and azaindole inhibitors of PAD enzymes 百时美施贵宝公司 2021-05-14 CN disclosed