SCHEMBL23976130

SCHEMBL23976130

CCCN(C)CCOc1ccnc(-c2nc3c(c(N(C)CC(=O)NC(C)(C)C)n2)CCC3)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
PDE10A Q9Y233 3/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SYK P43405 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
KDM5B Q9UGL1 1/20 0.31
SLC2A1 P11166 3/20 0.30
SLC2A3 P11169 3/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
DRD2 P14416 1/20 0.30
SPR P35270 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
SCHEMBL26228707 0.93 HDAC1 (0.38) HDAC1HDAC8HDAC6PDE10AMEN1
SCHEMBL23976139 0.92 HDAC1 (0.37) HDAC1HDAC8HDAC6PDE10AMEN1
SCHEMBL23976638 0.91 HDAC1 (0.36) HDAC1HDAC8HDAC6PDE10AMEN1
SCHEMBL25922698 0.90 MEN1 (0.36) HDAC1HDAC8HDAC6PDE10AMEN1
SCHEMBL23975777 0.90 SYK (0.38) HDAC1HDAC8HDAC6PDE10AMEN1
SCHEMBL30118766 0.90 SYK (0.38) HDAC1HDAC8HDAC6PDE10AMEN1
SCHEMBL23976776 0.89 POLB (0.37) HDAC1HDAC8HDAC6PDE10AMEN1
SCHEMBL30118866 0.89 HDAC1 (0.35) HDAC1HDAC8HDAC6PDE10AMEN1
SCHEMBL23975593 0.89 HDAC1 (0.37) HDAC1HDAC8HDAC6PDE10AMEN1
SCHEMBL23976897 0.89 HDAC1 (0.37) HDAC1HDAC8HDAC6PDE10AMEN1

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-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed