SCHEMBL28298070

SCHEMBL28298070

N#Cc1n[c]ccc1OC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.33
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
KDM5A P29375 1/20 0.30

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
SCHEMBL19851263 0.72 MBOAT4 (0.46) MBOAT4CTSSCTSK
SCHEMBL17984746 0.70 PLCG1 (0.41) MBOAT4
SCHEMBL19844892 0.69 MBOAT4 (0.40) MBOAT4CTSSCTSK
SCHEMBL19837398 0.69 MBOAT4 (0.40) MBOAT4CTSSCTSKKDM5A
SCHEMBL19837353 0.69 MBOAT4 (0.40) MBOAT4CTSSCTSKKDM5A
SCHEMBL16648679 0.68 SLC22A12 (0.34) MBOAT4
Hydrochloric Acid SCHEMBL19837354 0.68 MBOAT4 (0.40) MBOAT4CTSSCTSK
SCHEMBL7175463 0.66
SCHEMBL17316457 0.66
SCHEMBL19837356 0.66 MBOAT4 (0.38) MBOAT4CTSSCTSK

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
CN-109843891-A Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2019-06-04 CN disclosed