SCHEMBL21390772

SCHEMBL21390772

CC(C)Cn1c(CCCCC(=O)C[C@](C)(O)c2ccccc2)nc2ccc(C(F)(F)F)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
ENPP2 Q13822 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
APEX1 P27695 1/20 0.33
AGTR1 P30556 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
SCHEMBL21390915 0.87 CES1 (0.33) HDAC6APEX1CES1NCEH1DAGLA
SCHEMBL21391128 0.85 MEN1 (0.36) MEN1KMT2ALMNAPOLBENPP2
SCHEMBL21390773 0.85 MEN1 (0.35) MEN1KMT2ALMNAPOLBHDAC6
SCHEMBL21391129 0.81 MEN1 (0.37) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL21391134 0.81 RORC (0.33) ALDH1A1SMN1; SMN2MAPTMAPK1ACSS2
SCHEMBL21390828 0.80
SCHEMBL20624604 0.78 ACSS2 (0.36) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL19277969 0.78 ACSS2 (0.36) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL21391126 0.76 MEN1 (0.42) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL21390829 0.75 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