SCHEMBL7510847

SCHEMBL7510847

O=[N+]([O-])c1ccc(Br)c(Nc2ccc(Br)cc2Sc2ccccc2)c1SSc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 5/20 0.39
▸ PDE7B Q9NP56 3/20 0.39
▸ GSTP1 P09211 1/20 0.37
▸ GSTM2 P28161 1/20 0.37
▸ MAPT P10636 8/20 0.36
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ABCC9 O60706 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ KCNJ8 Q15842 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL8381179 0.74 PDE7A (0.43) PDE7APDE7BGSTP1GSTM2MAPT
SCHEMBL2968440 0.70 PDE7A (0.68) PDE7APDE7BGSTP1GSTM2MAPT
SCHEMBL3772645 0.66 PDE7A (0.49) PDE7APDE7BGSTP1GSTM2MAPT
SCHEMBL31222327 0.64 L3MBTL1 (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5111726 0.64 PDE7A (0.74) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL2947154 0.62 MAPT (0.65) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL30847370 0.62 L3MBTL1 (0.65) MAPTGAAMEN1KMT2AHSP90AA1
SCHEMBL1165347 0.62 L3MBTL1 (0.65) MAPTGAAMEN1KMT2AHSP90AA1
SCHEMBL337857 0.62 L3MBTL1 (0.68) MAPTGAAMEN1KMT2AHSP90AA1
SCHEMBL18022797 0.62 TDP1 (0.55) MAPTGAAMEN1KMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 — — EP disclosed
EP-0910563-A4 — — 1999-04-28 — — EP disclosed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 — — WO disclosed
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