SCHEMBL21391171

SCHEMBL21391171

COc1cc2nc(CCCCC(=O)CC(C)(C)O)n(C3CCC3)c2cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.39
IDH1 O75874 8/20 0.35
HDAC1 Q13547 4/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL21391169 0.90 BRD4 (0.38) BRD4IDH1HDAC1
SCHEMBL21391168 0.81 RORC (0.35) HDAC1RORC
SCHEMBL21390844 0.81 IDH1 (0.35) BRD4IDH1HDAC1
SCHEMBL21391176 0.81 HDAC1 (0.32) BRD4HDAC1
SCHEMBL21391035 0.80 HDAC1 (0.35) BRD4IDH1HDAC1
SCHEMBL18791660 0.79 BRD4 (0.40) BRD4IDH1
SCHEMBL21390880 0.77 HDAC1 (0.37) HDAC1RORC
SCHEMBL21390803 0.77 CCNT1 (0.35) HDAC1
SCHEMBL21390920 0.76 RORC (0.33) HDAC1RORC
SCHEMBL21391073 0.76 PDE10A (0.37)

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