SCHEMBL21391098

SCHEMBL21391098

CC(C)(C)CC(=O)CCCCc1nc2ccc(C3(O)CCC3)c(OC(F)(F)F)c2n1C1CCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.31
IDH1 O75874 5/20 0.30
CNR2 P34972 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
SCHEMBL21390870 0.88 JAK1 (0.30) JAK1
SCHEMBL21390819 0.87 CNR2 (0.32) JAK1CNR2
SCHEMBL21391096 0.82 JAK1 (0.33) JAK1
SCHEMBL21354564 0.81 IDH1 (0.33) IDH1CNR2
SCHEMBL21390891 0.75 TNF (0.36) JAK1IDH1
SCHEMBL21391086 0.75 AR (0.33) JAK1
SCHEMBL21390924 0.74 HTR3A (0.34) JAK1
SCHEMBL21390892 0.73 KDM4E (0.33) JAK1
SCHEMBL21390682 0.72 JAK1 (0.32) JAK1
SCHEMBL21390679 0.72 TNF (0.36) JAK1IDH1

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