SCHEMBL9873107

SCHEMBL9873107

CC(COc1ccc(-n2nc3c(cc2=O)CCc2ccc(F)cc2-3)cc1)C[N+](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PTGS2 P35354 1/20 0.34
MAPK14 Q16539 3/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
DRD2 P14416 1/20 0.32
S1PR1 P21453 4/20 0.31
S1PR3 Q99500 4/20 0.31
MEN1 O00255 1/20 0.31
MAPK13 O15264 1/20 0.31
HSPB1 P04792 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31

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
Iodide SCHEMBL10445026 0.99 HRH3 (0.37) HRH3KMT2AALDH1A1GAAPTGS2
SCHEMBL9865213 0.87 HRH3 (0.37) HRH3KMT2AALDH1A1GAAPTGS2
SCHEMBL9602093 0.85 HRH3 (0.39) HRH3KMT2AALDH1A1GAAMAPK14
SCHEMBL9601997 0.85 HRH3 (0.39) HRH3KMT2AALDH1A1GAAMAPK14
SCHEMBL9601550 0.84 HRH3 (0.40) HRH3KMT2AALDH1A1GAAPTGS2
SCHEMBL9602165 0.83 HRH3 (0.41) HRH3KMT2AALDH1A1GAADRD2
SCHEMBL9602428 0.83 HRH3 (0.41) HRH3KMT2AALDH1A1GAADRD2
SCHEMBL9602957 0.81 PTGS1 (0.42) KMT2AMEN1
SCHEMBL9602911 0.81 HRH3 (0.38) HRH3KMT2AALDH1A1GAAMAPK14
SCHEMBL9602724 0.80 ALDH1A1 (0.46) HRH3KMT2AALDH1A1GAAPTGS2

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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed