SCHEMBL7365151

SCHEMBL7365151

O=[N+]([O-])c1ccc(S/C=C\CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CES1 P23141 1/20 0.40
▸ IDO1 P14902 4/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7916733 1.00 TSHR (0.44) TSHRMAPTMEN1KMT2ACES1
SCHEMBL7361151 0.77 MAPT (0.47) MAPTMEN1KMT2ACES1CA1
SCHEMBL1509529 0.73 APP (0.60) TSHRMAPTMEN1KMT2A
SCHEMBL3099878 0.73 APP (0.60) TSHRMAPTMEN1KMT2A
SCHEMBL11223878 0.72 MAPT (0.40) MAPTMEN1KMT2ALOXL2CA1
SCHEMBL11223881 0.72 MAPT (0.40) MAPTMEN1KMT2ALOXL2CA1
SCHEMBL17629196 0.72 MAPT (0.50) MAPTMEN1KMT2ACES1LOXL2
SCHEMBL5578350 0.72 MAPT (0.50) MAPTMEN1KMT2ACES1LOXL2
SCHEMBL28016398 0.71 TSHR (0.56) TSHRMEN1KMT2ACES1IDO1
SCHEMBL7928526 0.71 IDO1 (0.37) MAPTMEN1KMT2AIDO1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 — — WO disclosed
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