SCHEMBL21391047

SCHEMBL21391047

COc1c(Cl)cc(Cl)c2nc(CCCC(=O)CC(C)(C)O)n(C3CCC3)c12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.30
KCNH2 Q12809 2/20 0.30
PIM3 Q86V86 2/20 0.30
PIM2 Q9P1W9 2/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
CXCR6 O00574 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
SCHEMBL21354721 0.79 CXCR6 (0.33) TAS1R3TAS1R1TAS1R2CXCR6
SCHEMBL21390947 0.78
SCHEMBL21390857 0.75 RORC (0.32)
SCHEMBL21391176 0.75 HDAC1 (0.32)
SCHEMBL21391164 0.74 CDK4 (0.35)
SCHEMBL21391174 0.72 JAK1 (0.35)
SCHEMBL21391073 0.71 PDE10A (0.37)
SCHEMBL21390679 0.71 TNF (0.36)
SCHEMBL21390682 0.71 JAK1 (0.32)
SCHEMBL21390826 0.70 CACNA1H (0.35)

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