SCHEMBL19984560

SCHEMBL19984560

NCc1cnc(C2CCC(=O)CC2)s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.32
LOXL2 Q9Y4K0 4/20 0.31
SLC8A1 P32418 1/20 0.31
LOX P28300 1/20 0.31

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
Hydrochloric Acid SCHEMBL19975396 0.89 LOXL2 (0.31) LOXL2
Hydrochloric Acid SCHEMBL21273306 0.89 LOXL2 (0.31) LOXL2
SCHEMBL19975384 0.75 MLYCD (0.38)
SCHEMBL29225034 0.75 ESR2 (0.34) ESR2
SCHEMBL12341805 0.75 SMN1; SMN2 (0.37) ESR2
SCHEMBL19984742 0.74 PDE10A (0.32)
SCHEMBL628287 0.73 GSK3B (0.37) ESR2SLC8A1
SCHEMBL19975191 0.71 L3MBTL1 (0.33)
SCHEMBL19975363 0.71 IDO1 (0.31)
Hydrochloric Acid SCHEMBL19975373 0.70 LOXL2 (0.31) LOXL2

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-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed