SCHEMBL21391037

SCHEMBL21391037

CC(O)(CC(=O)CCCCc1nc2ccc(C#N)cc2n1C(C)(C)C(F)(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 5/20 0.42
CCR9 P51686 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
ALB P02768 1/20 0.32
APEX1 P27695 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
BRD4 O60885 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL21391038 0.97 ACSS2 (0.43) ACSS2CCR9SLC22A12ALBAPEX1
SCHEMBL23132027 0.89 ACSS2 (0.34) ACSS2CCR9HDAC3HDAC4HDAC1
SCHEMBL21391043 0.81 ACSS2 (0.41) ACSS2CCR9SLC22A12ALBAPEX1
SCHEMBL20110978 0.79 ACSS2 (0.45) ACSS2CCR9SLC22A12ALBPDK1
SCHEMBL18791849 0.79 ACSS2 (0.45) ACSS2CCR9SLC22A12ALBPDK1
SCHEMBL18791850 0.79 ACSS2 (0.45) ACSS2CCR9SLC22A12ALBPDK1
SCHEMBL21391062 0.79 ACSS2 (0.33) ACSS2
SCHEMBL21391160 0.77 ACSS2 (0.38) ACSS2APEX1HDAC3HDAC4HDAC1
SCHEMBL21390801 0.75 PTGDR2 (0.36) ACSS2CCR9PTGDR2TLR8TLR7
SCHEMBL21390993 0.75 HTT (0.31) ACSS2AGTR1AGTR2

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