SCHEMBL8558318

SCHEMBL8558318

O=[N+]([O-])c1ccc(Sc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
LMNA P02545 7/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
TP53 P04637 1/20 0.66
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
HTT P42858 5/20 0.55
ALDH1A1 P00352 5/20 0.54
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
CCR6 P51684 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
GAA P10253 2/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL3455930 0.82 MAPT (0.52) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL27482298 0.81 MAPT (0.55) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL30831170 0.80 BCHE (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL1879820 0.80 BCHE (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL3455929 0.78 HTT (0.48) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL14112761 0.77 ALDH1A1 (0.60) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL31325602 0.77 NPC1 (0.61) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL17821366 0.77 MYC (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3792726 0.76 BCHE (0.68) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5010434 0.75 MMP2 (1.00) MAPTLMNANPC1RAB9ASMN1; SMN2

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