SCHEMBL7924853

SCHEMBL7924853

C=CC(O)Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ CES1 P23141 1/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 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
SCHEMBL7353270 0.78 ALDH1A1 (0.49) MEN1MAPTKMT2AALDH1A1CES1
SCHEMBL10507357 0.77 MAPT (0.50) MEN1MAPTKMT2AALDH1A1CES1
SCHEMBL11319673 0.77 MAPT (0.40) MEN1MAPTKMT2ATGM2ALDH1A1
SCHEMBL11097893 0.75 TDP1 (0.48) MEN1MAPTKMT2AALDH1A1CES1
SCHEMBL6691324 0.74 ALDH1A1 (0.53) MEN1MAPTKMT2ATGM2ALDH1A1
SCHEMBL3931538 0.73 MAPT (0.50) MEN1MAPTKMT2AALDH1A1CES1
SCHEMBL17629196 0.73 MAPT (0.50) MEN1MAPTKMT2ATGM2ALDH1A1
SCHEMBL8779825 0.73 MAPT (0.50) MEN1MAPTKMT2AALDH1A1CES1
SCHEMBL10345825 0.72 ALDH1A1 (0.39) MAPTALDH1A1HSD17B10TSHR
SCHEMBL7297638 0.72 MAPT (0.48) MEN1MAPTKMT2AALDH1A1CES1

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
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 — — US disclosed
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