SCHEMBL8564485

SCHEMBL8564485

O=[N+]([O-])c1ccc(Sc2cccc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
DHFR P00374 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE7A Q13946 2/20 0.48
ALDH1A1 P00352 2/20 0.47
PLK1 P53350 1/20 0.45
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6963693 0.83 MAPT (0.60) LMNAMAPTSMN1; SMN2DHFRMEN1
SCHEMBL6944030 0.80 ALOX5 (0.53) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27581731 0.78 PDE7A (0.67) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11355337 0.77 ALDH1A1 (0.44) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20379380 0.77 MAPT (0.52) LMNAMAPTSMN1; SMN2DHFRMEN1
SCHEMBL7606463 0.77 PDE7A (0.67) LMNAMAPTSMN1; SMN2DHFRMEN1
SCHEMBL2418894 0.77 SMN1; SMN2 (0.52) LMNAMAPTSMN1; SMN2DHFRMEN1
SCHEMBL22133428 0.77 ALDH1A1 (0.65) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20379425 0.77 PDE7A (0.61) LMNAMAPTSMN1; SMN2DHFRMEN1
SCHEMBL29881314 0.77 PDE7A (0.61) LMNAMAPTSMN1; SMN2DHFRMEN1

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-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
US-4275077-A Insecticidal acyl urea derivatives CELAMERCK GMBH & CO. KG (DE) 1981-06-23 US disclosed