SCHEMBL21390773

SCHEMBL21390773

CC(C)Cn1c(CCCC(=O)CC(C)(O)c2ccccc2)nc2ccc(Cl)nc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.34
ACSS2 Q9NR19 1/20 0.34
ENPP2 Q13822 3/20 0.33
TP53 P04637 1/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APEX1 P27695 1/20 0.32
CCR9 P51686 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL21390722 0.87 MEN1 (0.35) MEN1KMT2APOLBLMNAENPP2
SCHEMBL21390772 0.85 MEN1 (0.36) MEN1KMT2APOLBLMNAACSS2
SCHEMBL21390951 0.84 CCR9 (0.33) LMNAAGTR1AGTR2HDAC6APEX1
SCHEMBL21390953 0.84 CCR9 (0.33) LMNAAGTR1AGTR2HDAC6APEX1
SCHEMBL21391133 0.80 CYP11B1 (0.33) KMT2ALMNAACSS2NPSR1
SCHEMBL24846139 0.78 ACSS2 (0.37) LMNAACSS2TP53NPSR1CCR9
SCHEMBL20624606 0.78 ACSS2 (0.37) LMNAACSS2TP53NPSR1CCR9
SCHEMBL19276095 0.78 ACSS2 (0.37) LMNAACSS2TP53NPSR1CCR9
SCHEMBL21391128 0.74 MEN1 (0.36) MEN1KMT2APOLBLMNAENPP2
SCHEMBL21390718 0.74 MEN1 (0.42) MEN1KMT2APOLBLMNAENPP2

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed