SCHEMBL21391169

SCHEMBL21391169

COc1cc2nc(CCCCC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c2cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.38
IDH1 O75874 9/20 0.36
HDAC1 Q13547 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL21391171 0.90 BRD4 (0.39) BRD4IDH1HDAC1
SCHEMBL21391036 0.88 HDAC1 (0.35) IDH1HDAC1
SCHEMBL21391060 0.82 HDAC1 (0.36) HDAC1
SCHEMBL21391063 0.82 HDAC1 (0.36) HDAC1
SCHEMBL20111001 0.81 EGFR (0.40) IDH1
SCHEMBL21390804 0.81 CACNA1G (0.34) BRD4HDAC1
SCHEMBL18791663 0.81 EGFR (0.40) IDH1
SCHEMBL21391170 0.81 KDM2B (0.33)
SCHEMBL21391065 0.81 RORC (0.35) IDH1
SCHEMBL21390669 0.81 CYP11B2 (0.39) HDAC1

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