SCHEMBL23986932

SCHEMBL23986932

C=N/C(=C\OC)c1nc2c(c(N(C)CC(=O)NC(C)(C)C)n1)CCC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
USP2 O75604 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
SCHEMBL24702273 0.80 ALDH1A1 (0.32) MEN1POLBKMT2AGAA
SCHEMBL23976467 0.79 POLB (0.36) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL25932387 0.79 POLB (0.38) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL23975804 0.78 POLB (0.37) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL30225307 0.78 POLB (0.37) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL30225306 0.78 POLB (0.37) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL27209476 0.78 POLB (0.37) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL23986913 0.77 MEN1 (0.34) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL30225189 0.75 POLB (0.40) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL23975730 0.75 POLB (0.40) MEN1POLBKMT2AHDAC1HDAC8

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