SCHEMBL21391168

SCHEMBL21391168

CC(C)(O)CC(=O)CCCCc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
HDAC1 Q13547 4/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32

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
SCHEMBL21391176 0.86 HDAC1 (0.32) HDAC1
SCHEMBL21391064 0.85 RORC (0.37) RORCHDAC1CACNA1GCACNA1H
SCHEMBL21391108 0.85 CACNA1H (0.36) RORCHDAC1CACNA1GCACNA1H
SCHEMBL21391118 0.83 CACNA1G (0.35) RORCHDAC1CACNA1GCACNA1H
SCHEMBL21391171 0.81 BRD4 (0.39) RORCHDAC1
SCHEMBL21391164 0.81 CDK4 (0.35) HDAC1
SCHEMBL21390754 0.81 NOS1 (0.33)
SCHEMBL21391177 0.79 RORC (0.32) RORCHDAC1
SCHEMBL18779271 0.79 EGFR (0.36) RORCCACNA1GCACNA1H
SCHEMBL21390804 0.78 CACNA1G (0.34) RORCHDAC1CACNA1GCACNA1H

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