SCHEMBL21391129

SCHEMBL21391129

CC(C)CC(=O)CCCc1nc2ccc(C(F)(F)F)nc2n1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ENPP2 Q13822 7/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
RORC P51449 4/20 0.33
LMNA P02545 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 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
SCHEMBL21391128 0.90 MEN1 (0.36) MEN1KMT2AENPP2POLBRORC
SCHEMBL21391126 0.86 MEN1 (0.42) MEN1KMT2AENPP2TP53POLB
SCHEMBL21390772 0.81 MEN1 (0.36) MEN1KMT2AENPP2POLBRORC
SCHEMBL16084162 0.75 SMN1; SMN2 (0.39) MEN1KMT2ATP53RORCKDM4E
SCHEMBL21390722 0.74 MEN1 (0.35) MEN1KMT2AENPP2TP53POLB
SCHEMBL16084158 0.71 MAPK14 (0.43) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL21390848 0.71 RORC (0.33) TP53POLBRORCALDH1A1
SCHEMBL21390963 0.71 PDE2A (0.31)
SCHEMBL21390853 0.70 RORC (0.32) RORC
SCHEMBL21390829 0.70 CNR2 (0.38)

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