SCHEMBL20123641

SCHEMBL20123641

Fc1cccc2c1SCc1c(cccc1C(F)(F)F)C2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 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
SCHEMBL20015251 0.84 NOTUM (0.36) NOTUMPTGS2
SCHEMBL20123682 0.84 ALDH1A1 (0.37) NOTUMALDH1A1L3MBTL1
SCHEMBL20123649 0.78 ACHE (0.35) NOTUM
SCHEMBL21183818 0.78 NOTUM (0.33) NOTUM
SCHEMBL20014575 0.78 ADRA2A (0.33) NOTUM
SCHEMBL20123771 0.78 TEAD1 (0.33) NOTUMALDH1A1L3MBTL1PTGS2
SCHEMBL20014966 0.75 NOTUM (0.40) NOTUM
SCHEMBL20123623 0.74 NOTUM (0.42) NOTUM
SCHEMBL20123590 0.72 DRD2 (0.32) NOTUM
SCHEMBL20123727 0.72 ACHE (0.35) NOTUM

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
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed