SCHEMBL8561207

SCHEMBL8561207

O=[N+]([O-])c1ccc(-c2cc3ccccc3nc2S(=O)(=O)c2nc3ccccc3cc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MMP2 P08253 3/20 0.45
▸ MMP9 P14780 3/20 0.45
▸ MMP8 P22894 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ APP P05067 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ TNKS O95271 1/20 0.42
▸ GUSB P08236 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
SCHEMBL8561005 0.78 RAB9A (0.48) ALDH1A1RAB9ANPC1MMP2MMP9
SCHEMBL30072385 0.71 KMT2A (0.49) ALDH1A1RAB9ANPC1MMP2MMP9
SCHEMBL16586271 0.71 PDE10A (0.64) ALDH1A1RAB9ANPC1MMP2MMP9
SCHEMBL17796892 0.71 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1MMP2MMP9
SCHEMBL9595911 0.70 RAB9A (0.65) ALDH1A1RAB9ANPC1MMP2MMP9
SCHEMBL8561198 0.70 AGTR1 (0.56) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL10451885 0.69 KMT2A (0.52) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL32690191 0.69 RAB9A (0.62) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL17035167 0.69 RAB9A (0.51) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12549567 0.68 CYP1A2 (0.72) ALDH1A1RAB9ANPC1MMP2MMP9

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
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