SCHEMBL22148987

SCHEMBL22148987

Cn1nc(C2CC2)c(C(=O)c2ccc3nccc(OCC(F)F)c3c2)c1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.41
IDO1 P14902 13/20 0.36
CYP3A4 P08684 1/20 0.34
JMJD6 Q6NYC1 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL22149106 0.87 MGLL (0.41) MGLLIDO1JMJD6
SCHEMBL22129170 0.87 JMJD6 (0.36) MGLLIDO1CYP3A4JMJD6
SCHEMBL22149287 0.86 MGLL (0.40) MGLLIDO1
SCHEMBL22149097 0.84 IDO1 (0.38) MGLLIDO1CYP3A4
SCHEMBL22149065 0.83 MET (0.49) MGLLIDO1
SCHEMBL22149093 0.83 MGLL (0.39) MGLLIDO1AR
SCHEMBL22149058 0.82 MGLL (0.39) MGLLIDO1AR
SCHEMBL22149094 0.81 PDGFRA (0.41) MGLLIDO1
SCHEMBL22149103 0.81 TGFBR1 (0.38) MGLLIDO1
SCHEMBL22149092 0.81 MGLL (0.39) MGLL

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-2020124515-A1 QUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 东莞市东阳光农药研发有限公司 2020-06-25 WO disclosed