SCHEMBL8568008

SCHEMBL8568008

Nc1ccc(Sc2ccc3ncccc3c2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.44
PDE7B Q9NP56 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPY1R P25929 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM1A O60341 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8835421 0.78 POLB (0.50) NCOA1NCOA3POLBMAPTMEN1
SCHEMBL10309413 0.76 MAPT (0.56) NCOA1NCOA3POLBMAPTMEN1
SCHEMBL4079065 0.70 POLB (0.54) NCOA1NCOA3POLBMAPTMEN1
SCHEMBL1982991 0.70 ALDH1A1 (0.59) NCOA1NCOA3POLBMAPTMEN1
SCHEMBL2004290 0.70 POLB (0.54) NCOA1NCOA3POLBMAPTMEN1
SCHEMBL12101490 0.70 POLB (0.54) NCOA1NCOA3POLBMAPTMEN1
SCHEMBL31233910 0.70 POLB (0.54) NCOA1NCOA3POLBMAPTMEN1
SCHEMBL3037149 0.70 POLB (0.54) NCOA1NCOA3POLBMAPTMEN1
SCHEMBL8381644 0.70 POLB (0.54) NCOA1NCOA3POLBMAPTMEN1
SCHEMBL7488303 0.70 KDM1A (0.54) PDE7AMAPTMEN1KMT2ACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed