SCHEMBL21390885

SCHEMBL21390885

CC(O)(CC(=O)CCCc1nc2c(F)cc(C#N)cc2n1C(C)(C)C)c1cccc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.32
MEN1 O00255 3/20 0.31
DUT P33316 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
SCHEMBL21391062 0.90 ACSS2 (0.33) AR
SCHEMBL21390936 0.85
SCHEMBL21354694 0.81 AR (0.34) ARMEN1
SCHEMBL30315588 0.81 AR (0.34) ARMEN1
SCHEMBL21391082 0.78
SCHEMBL21391034 0.76 TNKS (0.32)
SCHEMBL21390806 0.74 PTGDR2 (0.35) MEN1
SCHEMBL26007997 0.73 MEN1 (0.34) ARMEN1
SCHEMBL20110989 0.73 ACSS2 (0.36) AR
SCHEMBL18791698 0.73 ACSS2 (0.36) AR

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