SCHEMBL20156514

SCHEMBL20156514

C=C(CC)c1cc(C#N)c(CC2CCC2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.35
RORC P51449 2/20 0.33
AR P10275 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL20156411 0.84 JAK2 (0.35) FASNJAK2JAK1TYK2JAK3
SCHEMBL19559116 0.80 KDM4E (0.46)
SCHEMBL20156425 0.79 JAK2 (0.32) JAK2JAK1TYK2JAK3
SCHEMBL30410282 0.79 GAA (0.43) FASNRORC
SCHEMBL23367734 0.77 JAK2 (0.31) JAK2JAK1TYK2JAK3
SCHEMBL20156488 0.76 L3MBTL1 (0.36)
SCHEMBL20156606 0.74 FASN (0.37) FASN
SCHEMBL19113136 0.70 KDM4E (0.37) FASNRORC
SCHEMBL23370244 0.68 L3MBTL1 (0.33)
SCHEMBL9674422 0.65 RORC (0.39) RORCAR

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-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed