SCHEMBL21390908

SCHEMBL21390908

CC(C)(O)CC(=O)CCCCc1nc2cc(C#N)c(C(F)(F)F)nc2n1C1CCC1

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL21390902 0.90 KDM4E (0.32) KDM4EALDH1A1HPGDHIF1A
SCHEMBL21390920 0.88 RORC (0.33)
SCHEMBL21391074 0.86 RORC (0.30)
SCHEMBL21390803 0.79 CCNT1 (0.35) JAK2JAK1TYK2JAK3
SCHEMBL19278032 0.79 KDM4E (0.35) KDM4EALDH1A1HPGDHIF1AJAK2
SCHEMBL21390774 0.78 RORC (0.41) JAK2JAK1TYK2JAK3
SCHEMBL21391075 0.77
SCHEMBL21391086 0.76 AR (0.33) KDM4EALDH1A1HPGDHIF1AJAK2
SCHEMBL21391073 0.75 PDE10A (0.37)
SCHEMBL21390754 0.74 NOS1 (0.33)

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