SCHEMBL30325293

SCHEMBL30325293

Cn1c(-c2cc3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 1.00

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
SCHEMBL18247767 1.00 PADI4 (1.00) PADI4
SCHEMBL30325317 0.95 PADI4 (0.90) PADI4
SCHEMBL18247604 0.95 PADI4 (0.90) PADI4
SCHEMBL18247378 0.92 PADI4 (0.98) PADI4
SCHEMBL18247676 0.92 PADI4 (0.98) PADI4
SCHEMBL25145183 0.91 PADI4 (0.84) PADI4
SCHEMBL18247608 0.91 PADI4 (0.84) PADI4
Hydrochloric Acid SCHEMBL18247665 0.91 PADI4 (1.00) PADI4
Hydrochloric Acid SCHEMBL30325547 0.91 PADI4 (1.00) PADI4
SCHEMBL18247752 0.91 PADI4 (0.85) 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-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP claimed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed