SCHEMBL7971986

SCHEMBL7971986

O=Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 8/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LTA4H P09960 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
RECQL P46063 1/20 0.49
HSPB1 P04792 1/20 0.47
MAPK1 P28482 1/20 0.45

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
SCHEMBL27705659 0.83 MAPT (0.73) HPGDL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL30159245 0.83 MAPT (0.73) HPGDL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL238962 0.83 L3MBTL1 (0.62) HPGDL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL8543520 0.83 MAPT (0.50) HPGDALDH1A1MAPTLMNAKMT2A
SCHEMBL1283885 0.81 HSPB1 (0.67) HPGDL3MBTL1ALDH1A1MAPTLMNA
2,4'-Oxybis(Nitrobenzene) SCHEMBL9474586 0.81 HSPB1 (0.62) HPGDL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL6750951 0.81 L3MBTL1 (0.57) HPGDL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL6157958 0.81 MAPT (0.67) HPGDL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL8311249 0.80 TTR (0.58) L3MBTL1ALDH1A1MAPTLMNAKMT2A
SCHEMBL29159284 0.80 MAPT (0.73) HPGDL3MBTL1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-5747517-A ALZHEIMER'S DISEASE; PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-05-05 US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 EP disclosed