SCHEMBL23975592

SCHEMBL23975592

CN(CC(N)=O)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.38
HDAC1 Q13547 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
SPR P35270 1/20 0.34
PDE4B Q07343 1/20 0.33
POLB P06746 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
ABCB1 P08183 1/20 0.32
TUBB3 Q13509 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL23976125 0.92 PARP1 (0.36) HDAC1HDAC8HDAC6SPRPDE10A
SCHEMBL23975862 0.91 TUBB3 (0.38) SYKHDAC1HDAC8HDAC6SPR
SCHEMBL30484199 0.91 TUBB3 (0.38) SYKHDAC1HDAC8HDAC6SPR
SCHEMBL23986789 0.89 SYK (0.39) SYKHDAC1HDAC8HDAC6SPR
SCHEMBL30118625 0.88 SYK (0.40) SYKHDAC1HDAC8HDAC6PDE10A
SCHEMBL23976064 0.88 SYK (0.40) SYKHDAC1HDAC8HDAC6PDE10A
SCHEMBL23976413 0.87 HDAC1 (0.33) SYKHDAC1HDAC8HDAC6SPR
SCHEMBL25918118 0.87 HDAC1 (0.36) SYKHDAC1HDAC8HDAC6SPR
SCHEMBL23976137 0.87 SYK (0.39) SYKHDAC1HDAC8HDAC6PDE10A
SCHEMBL23975777 0.87 SYK (0.38) SYKHDAC1HDAC8HDAC6SPR

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-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed