SCHEMBL7361151

SCHEMBL7361151

CC=CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MAPK1 P28482 4/20 0.41
▸ APP P05067 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ CES1 P23141 1/20 0.39

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
SCHEMBL5578350 0.84 MAPT (0.50) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL514483 0.77 HSD17B10 (0.56) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL7916733 0.77 TSHR (0.44) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL7365151 0.77 TSHR (0.44) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL30208519 0.76 ACHE (0.56) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL11223878 0.76 MAPT (0.40) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL11223881 0.76 MAPT (0.40) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL17629196 0.76 MAPT (0.50) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL27830410 0.73 ALDH1A1 (0.68) MEN1KMT2AHSD17B10ACHEALDH1A1
SCHEMBL11225755 0.73 ACHE (0.51) MAPTMEN1KMT2AHSD17B10ACHE

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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