SCHEMBL22685074

SCHEMBL22685074

Nc1cc(C(F)(F)F)ncc1-c1ccc(C2(NC(=O)c3ccc(F)cc3)COC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.51
CYP2C9 P11712 4/20 0.51
WDR91 A4D1P6 5/20 0.42
PDE2A O00408 2/20 0.40
RAF1 P04049 1/20 0.38
ABL1 P00519 1/20 0.37
KCNH2 Q12809 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHRNA7 P36544 1/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL22685078 0.92 WDR91 (0.53) IDO1CYP2C9WDR91PDE2AMAP4K4
SCHEMBL22685072 0.92 IDO1 (0.43) IDO1CYP2C9WDR91PDE2AABL1
SCHEMBL22685073 0.89 IDO1 (0.41) IDO1CYP2C9WDR91PDE2AHDAC6
SCHEMBL22685075 0.89 IDO1 (0.43) IDO1CYP2C9WDR91PDE2ARAF1
SCHEMBL22439026 0.88 IDO1 (0.66) IDO1CYP2C9WDR91PDE2ARAF1
SCHEMBL22685191 0.83 WDR91 (0.43) IDO1CYP2C9WDR91PDE2AABL1
SCHEMBL23908272 0.81 IDO1 (0.52) IDO1CYP2C9WDR91PDE2ARAF1
SCHEMBL22684763 0.81 PDE2A (0.44) IDO1CYP2C9WDR91PDE2AHDAC3
SCHEMBL22685247 0.80 ROCK2 (0.41) IDO1CYP2C9PDE2AHDAC3HDAC1
SCHEMBL22685245 0.80 MAP4K4 (0.41) IDO1CYP2C9PDE2AMAP4K4

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed