SCHEMBL20123649

SCHEMBL20123649

Cc1cccc2c1CSc1c(F)cccc1C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
NOTUM Q6P988 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL20123727 0.87 ACHE (0.35) ACHENOTUMLMNAMAPTHTT
SCHEMBL20015251 0.86 NOTUM (0.36) NOTUM
SCHEMBL20123632 0.86 MEN1 (0.37) LMNAMEN1KMT2ANPC1TP53
SCHEMBL21183818 0.81 NOTUM (0.33) NOTUM
SCHEMBL20123600 0.81 ADRA2A (0.33) LMNANPSR1MEN1KMT2ANPC1
SCHEMBL20014575 0.81 ADRA2A (0.33) NOTUMNPSR1
SCHEMBL21183807 0.80 CXCR5 (0.33) MEN1KMT2A
SCHEMBL20123641 0.78 NOTUM (0.35) NOTUM
SCHEMBL20014966 0.78 NOTUM (0.40) ACHENOTUM
SCHEMBL20123623 0.76 NOTUM (0.42) 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