SCHEMBL8560807

SCHEMBL8560807

O=[N+]([O-])c1ccc(Sc2ccc3ccccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 4/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PDE7A Q13946 1/20 0.47
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
IKBKB O14920 1/20 0.44
POLB P06746 2/20 0.43
THRB P10828 1/20 0.43
MCL1 Q07820 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL268150 0.83 MEN1 (0.68) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3328543 0.82 MAPT (0.79) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4163474 0.82 MAPT (0.79) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6942228 0.82 MEN1 (0.59) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL57616 0.81 LMNA (0.56) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29929890 0.81 LMNA (0.56) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8934655 0.80 MAPT (0.76) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8934649 0.80 MAPT (0.76) MAPTMEN1KMT2ASMN1; SMN2LMNA
Fluoride SCHEMBL29135589 0.80 MAPT (0.76) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2030452 0.80 PDE7A (0.74) MAPTKMT2ASMN1; SMN2LMNAALDH1A1

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