SCHEMBL8563586

SCHEMBL8563586

Nc1ccc(Sc2nc3ccccc3o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
MEN1 O00255 4/20 0.54
ATM Q13315 1/20 0.54
DDAH1 O94760 1/20 0.51
ADRA2C P18825 1/20 0.51
KDM1A O60341 1/20 0.50
MAPT P10636 5/20 0.49
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GFER P55789 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 5/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 2/20 0.46
PKM P14618 1/20 0.46
CTSD P07339 1/20 0.46
CASP6 P55212 1/20 0.44

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
SCHEMBL28030477 0.91 DDAH1 (0.54) KMT2ARAB9ANPC1MEN1DDAH1
SCHEMBL10587516 0.86 DDAH1 (0.53) KMT2ARAB9ANPC1MEN1DDAH1
SCHEMBL28813270 0.83 KMT2A (0.48) KMT2ARAB9ANPC1MEN1DDAH1
SCHEMBL11588358 0.83 KMT2A (0.51) KMT2ARAB9ANPC1MEN1DDAH1
SCHEMBL8363008 0.83 RAB9A (0.58) KMT2ARAB9ANPC1MEN1DDAH1
SCHEMBL28366757 0.82 DDAH1 (0.59) KMT2ARAB9ANPC1MEN1DDAH1
SCHEMBL8561564 0.80 KMT2A (0.48) KMT2ARAB9ANPC1MEN1DDAH1
SCHEMBL27974300 0.80 MAPT (0.60) KMT2ARAB9ANPC1MEN1DDAH1
SCHEMBL11343149 0.77 MAPT (0.67) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL28822248 0.77 KMT2A (0.55) KMT2ARAB9ANPC1MEN1DDAH1

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