SCHEMBL29323708

SCHEMBL29323708

COC(=O)c1ccc(C2CNCCN2)c2c1NCCO2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
PARP1 P09874 1/20 0.32
FUCA1 P04066 1/20 0.32
ALOX5 P09917 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KMT2A Q03164 1/20 0.31
CSNK2A1 P68400 1/20 0.31
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL31056598 1.00 SLC6A2 (0.37) SLC6A2SLC6A4PARP1FUCA1ALOX5
SCHEMBL31056540 0.86 SLC6A2 (0.38) SLC6A2SLC6A4PARP1FUCA1CTSL
SCHEMBL29321033 0.86 SLC6A2 (0.38) SLC6A2SLC6A4PARP1FUCA1CTSL
SCHEMBL29324068 0.83 SLC6A2 (0.34) SLC6A2SLC6A4PARP1FUCA1ALOX5
SCHEMBL31056959 0.83 SLC6A2 (0.34) SLC6A2SLC6A4PARP1FUCA1ALOX5
SCHEMBL29322206 0.79 PARP1 (0.37) SLC6A2SLC6A4PARP1FUCA1ALOX5
SCHEMBL29323710 0.76 MAP4K1 (0.32) SLC6A2SLC6A4
SCHEMBL31056780 0.76 MAP4K1 (0.32) SLC6A2SLC6A4
SCHEMBL29323701 0.76 KDM4E (0.36) SLC6A2SLC6A4ALOX5KMT2ACSNK2A1
SCHEMBL6965263 0.74 KDM4E (0.43) SLC6A2SLC6A4PARP1KMT2ASLC6A3

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