SCHEMBL13522745

SCHEMBL13522745

O=C(O)c1ccccc1N[S+]([O-])c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ FABP3 P05413 1/20 0.45
▸ FABP5 Q01469 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ AGTR1 P30556 1/20 0.44
▸ AKR1B10 O60218 1/20 0.42
▸ TRPA1 O75762 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
SCHEMBL13522883 0.89 MEN1 (0.51) FABP4ALDH1A1HPGDKMT2AKDM4E
SCHEMBL31496772 0.77 ALDH1A1 (0.48) FABP4ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL31496755 0.76 FABP4 (0.45) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL27710618 0.76 KMT2A (0.39) ALDH1A1ALOX15HPGDHSD17B10KMT2A
SCHEMBL355549 0.72 FABP4 (0.80) FABP4ALDH1A1ALOX15HPGDFABP3
SCHEMBL7610425 0.72 ALDH1A1 (0.62) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL30320327 0.72 FABP4 (0.80) FABP4ALDH1A1ALOX15HPGDFABP3
SCHEMBL9691899 0.70 FABP4 (0.77) FABP4ALDH1A1ALOX15HPGDFABP3
SCHEMBL143766 0.70 ALDH1A1 (0.59) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL2695105 0.70 ALDH1A1 (0.59) FABP4ALDH1A1ALOX15HPGDHSD17B10

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-2010005922-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF USE FOR SAME, AND METHODS FOR PREPARING SAME FASGEN, INC. (US) 2010-01-14 — — WO disclosed
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