SCHEMBL8561002

SCHEMBL8561002

O=[N+]([O-])c1ccc([S+]([O-])c2ccc3ccccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
MAPT P10636 5/20 0.51
NPC1 O15118 3/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
RECQL P46063 1/20 0.43
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
MMP13 P45452 2/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL10438714 0.81 NCF1 (0.41) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29980485 0.81 NCF1 (0.41) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL28294004 0.79 MAPT (0.48) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL8569476 0.78 MEN1 (0.49) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL9776952 0.77 CYP1A2 (0.46) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL2816722 0.73 ALDH1A1 (0.60) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL1576857 0.73 ALDH1A1 (0.52) MAPK1ALDH1A1KMT2AMEN1RECQL
SCHEMBL9595911 0.72 RAB9A (0.65) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL10417424 0.71 MAPT (0.49) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8563275 0.69 RAB9A (0.68) RAB9AMAPTNPC1HTTSMN1; 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