SCHEMBL21391062

SCHEMBL21391062

CC(O)(CC(=O)CCCCc1nc2c(F)cc(C#N)cc2n1C(C)(C)C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 3/20 0.33
AR P10275 5/20 0.31

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
SCHEMBL21390885 0.90 AR (0.32) AR
SCHEMBL21391034 0.85 TNKS (0.32) ACSS2
SCHEMBL21390936 0.84
SCHEMBL21391160 0.81 ACSS2 (0.38) ACSS2
SCHEMBL20110989 0.79 ACSS2 (0.36) ACSS2AR
SCHEMBL18791698 0.79 ACSS2 (0.36) ACSS2AR
SCHEMBL18791697 0.79 ACSS2 (0.36) ACSS2AR
SCHEMBL21391037 0.79 ACSS2 (0.42) ACSS2
SCHEMBL21391082 0.78
SCHEMBL21391065 0.76 RORC (0.35) ACSS2

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