SCHEMBL29322208

SCHEMBL29322208

COC(=O)c1ccc(C2CN(CC(F)F)CCN2)c2c1NCCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.38
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
TNK2 Q07912 1/20 0.31
TNK1 Q13470 1/20 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
SCHEMBL29323710 0.83 MAP4K1 (0.32) XIAPBIRC2
SCHEMBL31056780 0.83 MAP4K1 (0.32) XIAPBIRC2
SCHEMBL31056754 0.78 HTR4 (0.34) XIAPBIRC2
SCHEMBL31056713 0.78 SCN1A (0.32) PRMT5WDR77
SCHEMBL29324071 0.78 SCN1A (0.32) PRMT5WDR77
SCHEMBL29322206 0.76 PARP1 (0.37) PARP1
SCHEMBL29323240 0.75 CA12 (0.39) XIAPBIRC2
SCHEMBL26984319 0.74 PARP1 (0.40) PARP1
SCHEMBL31467009 0.74 PARP1 (0.40) PARP1
SCHEMBL29320165 0.74 XIAP (0.34) XIAPBIRC2

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
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed