SCHEMBL21390682

SCHEMBL21390682

COCc1c(Cl)ccc2nc(CCCC(=O)CC(C)(C)C)n(C3CCC3)c12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.32
PLA2G1B P04054 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 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
SCHEMBL21390892 0.83 KDM4E (0.33) JAK1
SCHEMBL21390890 0.81 PLA2G1B (0.33) JAK1PLA2G1BTSHRHSD17B10ATG4B
SCHEMBL21391029 0.80 PLA2G1B (0.33) PLA2G1BTSHRHSD17B10ATG4B
SCHEMBL21354667 0.79 GAA (0.35) PLA2G1BTSHRHSD17B10ATG4B
SCHEMBL21390950 0.78 CYP11B2 (0.36) JAK1
SCHEMBL21390979 0.78 HDAC1 (0.32) JAK1
SCHEMBL21391130 0.78 CYP11B2 (0.38)
SCHEMBL21390924 0.77 HTR3A (0.34) JAK1TSHR
SCHEMBL21391159 0.77 SMN1; SMN2 (0.35)
SCHEMBL21391096 0.77 JAK1 (0.33) JAK1

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