SCHEMBL13683082

SCHEMBL13683082

Cc1[nH]nc(C(C)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
DYRK1A Q13627 1/20 0.36
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13184190 0.74 HCAR2 (0.44) HCAR2DYRK1A
SCHEMBL9126671 0.71
SCHEMBL13683068 0.62
SCHEMBL12354209 0.62 DYRK1A (0.48) DYRK1A
Hydrogen Sulfide SCHEMBL28167473 0.61 GAA (0.31)
Isopropyl Alcohol SCHEMBL7702781 0.61 DYRK1A (0.41) DYRK1ALMNAL3MBTL1
SCHEMBL14044080 0.61 HCAR2 (0.70) HCAR2
SCHEMBL19499607 0.61 DYRK1A (0.35) DYRK1A
Isopropyl Alcohol SCHEMBL8848150 0.60 DYRK1A (0.39) DYRK1ALMNAL3MBTL1
SCHEMBL3464222 0.59 HCAR2 (0.42) HCAR2DYRK1A

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
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed