SCHEMBL24568535

SCHEMBL24568535

C=Cc1ccc2cc(-c3nc(C=C)[nH]c3C)n(CC3CC3)c2n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 2/20 0.31

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
SCHEMBL24568534 0.88 GRIA2 (0.32) PADI4
SCHEMBL24568637 0.85 PADI4 (0.30) PADI4
SCHEMBL24568636 0.82 ADORA3 (0.34) PADI4
SCHEMBL24568633 0.80 PADI4 (0.30) PADI4
SCHEMBL24567704 0.69 PADI4 (0.53) PADI4
SCHEMBL24568064 0.69 PADI4 (0.52) PADI4
SCHEMBL24568063 0.65 PDE5A (0.33)
SCHEMBL24797436 0.62 PTGS2 (0.51)
SCHEMBL23777027 0.58 NOTUM (0.40)
SCHEMBL20853161 0.54 PLK1 (0.36)

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