SCHEMBL13522883

SCHEMBL13522883

O=C(O)c1ccccc1N[S+]([O-])c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ FTO Q9C0B1 1/20 0.48
▸ TRPA1 O75762 1/20 0.48
▸ NR4A1 P22736 1/20 0.45
▸ SUCNR1 Q9BXA5 1/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CCR1 P32246 1/20 0.44
▸ CCR2 P41597 1/20 0.44
▸ GRIK1 P39086 6/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL13522745 0.89 FABP4 (0.47) MEN1KMT2ATRPA1DHODHCYP1A2
SCHEMBL4246580 0.72 FABP4 (0.71) MEN1KMT2AFTOTRPA1DHODH
Phthalic Acid SCHEMBL21802423 0.72 NR4A1 (0.76) MEN1KMT2ANR4A1CYP1A2CYP3A4
SCHEMBL12200779 0.71 CCR2 (0.73) MEN1KMT2AALDH1A1CCR1CCR2
SCHEMBL31496772 0.71 ALDH1A1 (0.48) MEN1KMT2AFTOTRPA1CYP1A2
SCHEMBL16583930 0.70 DHODH (0.73) MEN1KMT2ASUCNR1DHODHALDH1A1
SCHEMBL31496755 0.70 FABP4 (0.45) MEN1KMT2ATRPA1DHODHCYP1A2
SCHEMBL28319475 0.70 L3MBTL1 (0.51) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL14399036 0.69 ALDH1A1 (0.74) MEN1KMT2AFTOTRPA1ALDH1A1
SCHEMBL5594972 0.69 DHODH (0.75) MEN1KMT2ADHODHCYP1A2CYP3A4

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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