SCHEMBL21391064

SCHEMBL21391064

CC(C)(O)CC(=O)CCCc1nc2c(C(F)(F)F)cc(C#N)cc2n1C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.37
EPHX2 P34913 1/20 0.33
IDH1 O75874 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
AR P10275 2/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
SSTR4 P31391 1/20 0.31
HDAC1 Q13547 2/20 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
SCHEMBL21391065 0.87 RORC (0.35) RORCEPHX2IDH1
SCHEMBL21391177 0.87 RORC (0.32) RORCTLR8TLR7HDAC1
SCHEMBL21391168 0.85 RORC (0.35) RORCCACNA1GCACNA1HHDAC1
SCHEMBL23132029 0.83 HDAC1 (0.33) RORCHDAC1
SCHEMBL21390935 0.81 HDAC1 (0.33) RORCHDAC1
SCHEMBL18791696 0.80 ALK (0.36) RORCEPHX2ARCACNA1GCACNA1H
SCHEMBL21391108 0.79 CACNA1H (0.36) RORCCACNA1GCACNA1HHDAC1
SCHEMBL21391118 0.78 CACNA1G (0.35) RORCCACNA1GCACNA1HHDAC1
SCHEMBL21390804 0.77 CACNA1G (0.34) RORCCACNA1GCACNA1HHDAC1
SCHEMBL21391034 0.77 TNKS (0.32) RORCHDAC1

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