SCHEMBL21390979

SCHEMBL21390979

CCc1c(CC(C)(C)O)ccc2nc(CCCCC(=O)CC(C)(C)C)n(C3CCC3)c12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.32
JAK1 P23458 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

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
SCHEMBL21391159 0.86 SMN1; SMN2 (0.35) HDAC1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL21390815 0.79 HDAC1 (0.33) HDAC1JAK1
SCHEMBL21390682 0.78 JAK1 (0.32) JAK1
SCHEMBL21391078 0.77 KDM4E (0.33) HDAC1JAK1ALDH1A1
SCHEMBL21390890 0.77 PLA2G1B (0.33) HDAC1JAK1
SCHEMBL21390924 0.76 HTR3A (0.34) JAK1ALDH1A1
SCHEMBL21390819 0.75 CNR2 (0.32) HDAC1JAK1
SCHEMBL21391086 0.75 AR (0.33) HDAC1JAK1ALDH1A1
SCHEMBL21390892 0.75 KDM4E (0.33) JAK1ALDH1A1
SCHEMBL23132031 0.74 CYP11B2 (0.41) HDAC1

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