SCHEMBL28017015

SCHEMBL28017015

O=S(=O)(O)n1nnnc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MGLL Q99685 2/20 0.44
FAAH O00519 1/20 0.44
STAT5B P51692 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
MAPT P10636 1/20 0.41
HSD11B1 P28845 2/20 0.40
DAGLA Q9Y4D2 2/20 0.40
CNR2 P34972 1/20 0.40
PTGS2 P35354 2/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL28339490 0.74 ALDH1A1 (0.46) ALDH1A1MGLLFAAHSTAT5BTRPV1
SCHEMBL9643255 0.73 MGLL (0.59) ALDH1A1MGLLFAAHSTAT5BTRPV1
SCHEMBL2180439 0.73 MGLL (0.58) ALDH1A1MGLLFAAHTRPV1DAGLA
SCHEMBL2092704 0.71 CNR2 (0.54) ALDH1A1MGLLFAAHSTAT5BTRPV1
SCHEMBL28099662 0.71 CNR2 (0.54) ALDH1A1MGLLFAAHSTAT5BTRPV1
SCHEMBL28052089 0.71 PTGS2 (0.48) ALDH1A1MGLLHSD11B1PTGS2SMN1; SMN2
SCHEMBL11456469 0.71 KDM4C (0.62) ALDH1A1MGLLFAAHSTAT5BTRPV1
SCHEMBL4407850 0.70 CNR2 (0.45) ALDH1A1MGLLFAAHSTAT5BTRPV1
SCHEMBL4413673 0.70 CNR2 (0.45) ALDH1A1MGLLFAAHSTAT5BTRPV1
SCHEMBL4407041 0.70 ALDH1A1 (0.46) ALDH1A1MGLLFAAHSTAT5BTRPV1

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-104661664-A Chiral control WAVE LIFE SCIENCES PTY LTD 2015-05-27 CN disclosed