SCHEMBL9865213

SCHEMBL9865213

CC(C[N+](C)(C)C)Oc1ccc(-n2nc3c(cc2=O)CCc2ccc(F)cc2-3)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
MEN1 O00255 2/20 0.32
PTGS2 P35354 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
DRD2 P14416 1/20 0.31
NPY5R Q15761 2/20 0.30
TYMS P04818 1/20 0.30

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
SCHEMBL9867010 0.88 ALDH1A1 (0.39) HRH3ALDH1A1KMT2AGAAMEN1
SCHEMBL9866678 0.87 HRH3 (0.44) HRH3ALDH1A1KMT2AGAAMEN1
SCHEMBL9873107 0.87 HRH3 (0.38) HRH3ALDH1A1KMT2AGAAMEN1
Iodide SCHEMBL10445022 0.87 ALDH1A1 (0.39) HRH3ALDH1A1KMT2AGAAMEN1
Iodide SCHEMBL10445057 0.87 HRH3 (0.43) HRH3ALDH1A1KMT2AGAAMEN1
Iodide SCHEMBL10445026 0.86 HRH3 (0.37) HRH3ALDH1A1KMT2AGAAMEN1
SCHEMBL9602724 0.82 ALDH1A1 (0.46) HRH3ALDH1A1KMT2AGAAMEN1
Fumaric Acid SCHEMBL9603083 0.81 MCHR1 (0.39) HRH3ALDH1A1KMT2AGAAMEN1
Fumaric Acid SCHEMBL9603089 0.81 MCHR1 (0.39) HRH3ALDH1A1KMT2AGAAMEN1
SCHEMBL9602093 0.79 HRH3 (0.39) HRH3ALDH1A1KMT2AGAAMEN1

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