SCHEMBL21390764

SCHEMBL21390764

CC(O)(CC(=O)CCCCc1nc2ccc(C#N)nc2n1C1CCC1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
DAGLA Q9Y4D2 2/20 0.32
CES1 P23141 2/20 0.32
NCEH1 Q6PIU2 1/20 0.32
MAPK1 P28482 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACSS2 Q9NR19 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
SCHEMBL21390955 0.87 ALDH1A1 (0.32) ALDH1A1DAGLAMAPK1MAPTSMN1; SMN2
SCHEMBL21391134 0.86 RORC (0.33) ALDH1A1DAGLACES1NCEH1MAPK1
SCHEMBL21391133 0.84 CYP11B1 (0.33) CYP11B1CYP11B2ALDH1A1MAPK1MAPT
SCHEMBL21390902 0.84 KDM4E (0.32) ALDH1A1KDM4EHPGDHIF1A
SCHEMBL21391072 0.83 PDE10A (0.34) CYP11B2ALDH1A1ACSS2
SCHEMBL21390770 0.82 ALDH1A1 (0.31) ALDH1A1MAPK1MAPTSMN1; SMN2NPSR1
SCHEMBL21390956 0.82 RORC (0.33) ALDH1A1MAPK1MAPTSMN1; SMN2NPSR1
SCHEMBL21391123 0.82 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1KDM4EHPGD
SCHEMBL21390669 0.81 CYP11B2 (0.39) CYP11B1CYP11B2ALDH1A1KDM4EHPGD
SCHEMBL20624117 0.79 KDM4E (0.40) CYP11B1CYP11B2ALDH1A1KDM4EHPGD

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