SCHEMBL23976103

SCHEMBL23976103

CC(O)COc1ccnc(-c2nc3c(c(N(C)CC(=O)NC4(C)CCC4)n2)CCC3)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PDE10A Q9Y233 1/20 0.30
SPR P35270 1/20 0.30
SLC2A1 P11166 1/20 0.30
SLC2A3 P11169 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
SCHEMBL23976097 1.00 HDAC1 (0.35) HDAC1HDAC8HDAC6KMT2ANPC1
SCHEMBL23976708 1.00 HDAC1 (0.35) HDAC1HDAC8HDAC6KMT2ANPC1
SCHEMBL23976709 0.89 SYK (0.36) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL30118693 0.89 HDAC1 (0.36) HDAC1HDAC8HDAC6KMT2ANPC1
SCHEMBL23976498 0.89 HDAC1 (0.36) HDAC1HDAC8HDAC6KMT2ANPC1
SCHEMBL26228834 0.87 HDAC1 (0.36) HDAC1HDAC8HDAC6KMT2ANPC1
SCHEMBL30118604 0.87 SYK (0.36) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL23975999 0.87 SYK (0.36) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL23976003 0.86 HDAC1 (0.36) HDAC1HDAC8HDAC6KMT2APDE10A
SCHEMBL23976668 0.86 HDAC1 (0.36) HDAC1HDAC8HDAC6KMT2APDE10A

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