SCHEMBL21390815

SCHEMBL21390815

CCc1cc(F)cc2nc(CCCC(=O)CC(C)(C)C)n(C3CCC3)c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.33
JAK1 P23458 1/20 0.32
PDE10A Q9Y233 1/20 0.31
RORC P51449 1/20 0.30
TNF P01375 1/20 0.30
LITAF Q99732 1/20 0.30
PIK3CA P42336 1/20 0.30
MCHR1 Q99705 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
SCHEMBL21390827 0.92 JAK1 (0.30) JAK1
SCHEMBL21391078 0.81 KDM4E (0.33) HDAC1JAK1
SCHEMBL21391079 0.80 CYP19A1 (0.32) JAK1RORC
SCHEMBL21390808 0.79 JAK2 (0.33) JAK1RORC
SCHEMBL21390979 0.79 HDAC1 (0.32) HDAC1JAK1
SCHEMBL21390810 0.78 CYP19A1 (0.32) HDAC1JAK1RORC
SCHEMBL23132031 0.78 CYP11B2 (0.41) HDAC1
SCHEMBL21390890 0.77 PLA2G1B (0.33) HDAC1JAK1
SCHEMBL21390924 0.76 HTR3A (0.34) JAK1PDE10ATNFLITAF
SCHEMBL21390893 0.75 RORC (0.31) RORC

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