SCHEMBL21391133

SCHEMBL21391133

CC(O)(CC(=O)CCCc1nc2ccc(Cl)nc2n1C1CCC1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
ACSS2 Q9NR19 2/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TNKS O95271 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
LMNA P02545 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
SCHEMBL21390950 0.88 CYP11B2 (0.36) CYP11B1CYP11B2
SCHEMBL21391072 0.88 PDE10A (0.34) CYP11B2ACSS2ALDH1A1TNKSPARP2
SCHEMBL21390952 0.87 RORC (0.34) ACSS2L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL21390955 0.87 ALDH1A1 (0.32) ACSS2ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL21391134 0.85 RORC (0.33) ACSS2ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL21390770 0.85 ALDH1A1 (0.31) ACSS2ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL21391155 0.85 ACSS2 (0.39) CYP11B1CYP11B2ACSS2ALDH1A1TNKS
SCHEMBL21390956 0.84 RORC (0.33) ACSS2L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL21390764 0.84 CYP11B1 (0.35) CYP11B1CYP11B2ACSS2ALDH1A1MAPT
SCHEMBL21391142 0.83 RORC (0.34) CYP11B1CYP11B2

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