SCHEMBL21391176

SCHEMBL21391176

COc1cc(Br)cc2c1nc(CCCCC(=O)CC(C)(C)O)n2C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.32
BRD4 O60885 7/20 0.32
CREBBP Q92793 7/20 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
SCHEMBL21391168 0.86 RORC (0.35) HDAC1
SCHEMBL21391171 0.81 BRD4 (0.39) HDAC1BRD4
SCHEMBL21391164 0.78 CDK4 (0.35) HDAC1BRD4CREBBP
SCHEMBL18779260 0.78 EGFR (0.34) BRD4CREBBP
SCHEMBL21391177 0.76 RORC (0.32) HDAC1
SCHEMBL21390857 0.75 RORC (0.32)
SCHEMBL21391047 0.75 PIM1 (0.30)
SCHEMBL21390781 0.74 BRD4 (0.33) BRD4CREBBP
SCHEMBL21391073 0.73 PDE10A (0.37)
SCHEMBL21354612 0.73 KCNQ3 (0.36) BRD4

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