SCHEMBL21391078

SCHEMBL21391078

CCc1c(C#N)c(F)cc2nc(CCCCC(=O)CC(C)(C)C)n(C3CCC3)c12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
HDAC1 Q13547 2/20 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
SCHEMBL21390808 0.87 JAK2 (0.33) KDM4EALDH1A1HPGDHIF1AJAK2
SCHEMBL21390815 0.81 HDAC1 (0.33) JAK1HDAC1
SCHEMBL21390810 0.79 CYP19A1 (0.32) JAK2JAK1TYK2JAK3HDAC1
SCHEMBL21390935 0.78 HDAC1 (0.33) HDAC1
SCHEMBL21390979 0.77 HDAC1 (0.32) ALDH1A1JAK1HDAC1
SCHEMBL21391086 0.77 AR (0.33) KDM4EALDH1A1HPGDHIF1AJAK2
SCHEMBL21391079 0.77 CYP19A1 (0.32) JAK2JAK1TYK2JAK3
SCHEMBL21390892 0.77 KDM4E (0.33) KDM4EALDH1A1HPGDHIF1AJAK2
SCHEMBL23132029 0.75 HDAC1 (0.33) KDM4EALDH1A1HPGDHDAC1
SCHEMBL21391159 0.74 SMN1; SMN2 (0.35) KDM4EALDH1A1HDAC1

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