SCHEMBL21390722

SCHEMBL21390722

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
TLR7 Q9NYK1 2/20 0.32
LMNA P02545 2/20 0.32
CCR9 P51686 1/20 0.31
ENPP2 Q13822 3/20 0.31
TP53 P04637 1/20 0.31
TBXA2R P21731 1/20 0.31
HDAC1 Q13547 1/20 0.30
AGTR1 P30556 2/20 0.30
AGTR2 P50052 2/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL21390773 0.87 MEN1 (0.35) MEN1KMT2APOLBLMNACCR9
SCHEMBL21391128 0.85 MEN1 (0.36) MEN1KMT2APOLBLMNAENPP2
SCHEMBL21390718 0.79 MEN1 (0.42) MEN1KMT2APOLBLMNAENPP2
SCHEMBL21390950 0.77 CYP11B2 (0.36) HDAC1
SCHEMBL16084207 0.75 RPS6KA3 (0.36) MEN1KMT2ALMNACCR9TP53
SCHEMBL21391129 0.74 MEN1 (0.37) MEN1KMT2APOLBTLR7LMNA
SCHEMBL21390723 0.74
SCHEMBL21390751 0.74 CCR9 (0.32) CCR9HDAC1HDAC6
SCHEMBL21390772 0.71 MEN1 (0.36) MEN1KMT2APOLBLMNAENPP2
SCHEMBL17481338 0.70 RPS6KA3 (0.33)

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