SCHEMBL9719942

SCHEMBL9719942

O=C1C=CC(=O)N1c1ccccc1C1CCC(c2ccccc2N2C(=O)C=CC2=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.59
MGLL Q99685 13/20 0.55
FAAH O00519 4/20 0.46
HCAR1 Q9BXC0 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
CCR6 P51684 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 1/20 0.37
ADRA1B P35368 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL9495394 0.91 TLR9 (0.53) TLR9MGLLFAAHHCAR1ALDH1A1
SCHEMBL5970019 0.88 TLR9 (0.50) TLR9MGLLHTR1A
SCHEMBL28883386 0.79 TLR9 (0.47) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL121404 0.76 TLR9 (1.00) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL29377102 0.76 TLR9 (1.00) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL187445 0.74 TLR9 (0.50) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL21051209 0.73 TLR9 (0.41) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL58050 0.71 MGLL (1.00) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL29376713 0.71 MGLL (1.00) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL7672811 0.70 HTR2C (0.49) HCAR1HTR1A

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-0471522-A1 Resin composition based on polymaleimide and phenolic aralkyl resin MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-02-19 EP disclosed