SCHEMBL21683072

SCHEMBL21683072

CCOc1cc(C(=O)O)cc2nc(-c3cc4ccc(/C(C)=N/O)nc4n3CC3CC3)n(C)c12

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.51

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
SCHEMBL21683073 1.00 PADI4 (0.51) PADI4
SCHEMBL24789802 0.85 PADI4 (0.64) PADI4
SCHEMBL28555404 0.85 PADI4 (0.64) PADI4
SCHEMBL30113616 0.85 PADI4 (0.64) PADI4
SCHEMBL29850604 0.79 PADI4 (0.61) PADI4
SCHEMBL18940561 0.79 PADI4 (0.61) PADI4
SCHEMBL21683276 0.78 PADI4 (0.59) PADI4
SCHEMBL29641127 0.77 PADI4 (0.58) PADI4
SCHEMBL21683077 0.77 PADI4 (0.68) PADI4
SCHEMBL29641249 0.77 PADI4 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3833440-A1 INDOLE AND AZAINDOLE INHIBITORS OF PAD ENZYMES Bristol-Myers Squibb Company (US) 2021-06-16 EP disclosed
WO-2020033520-A1 INDOLE AND AZAINDOLE INHIBITORS OF PAD ENZYMES BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-13 WO disclosed