SCHEMBL1696237

SCHEMBL1696237

S=C(SSS)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
PHGDH O43175 2/20 0.37

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
SCHEMBL176121 0.85 ALDH1A1 (0.44) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL4370505 0.80 ALDH1A1 (0.41) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL11741123 0.78 ALDH1A1 (0.39) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL2106681 0.74 ALDH1A1 (0.44) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL237352 0.71 SMN1; SMN2 (0.46) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL8494639 0.71 CA2 (0.48) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL163031 0.71 ALDH1A1 (0.39) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL12520176 0.70 ALDH1A1 (0.41) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL2320794 0.70 ALDH1A1 (0.47) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL17621883 0.70 ALDH1A1 (0.41) ALDH1A1MAPTMEN1GAAKMT2A

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-2011158024-A1 METHODS RELATING TO RUBBER PRODUCTS SMITHERS RAPRA TECHNOLOGY LIMITED (GB) 2011-12-22 WO disclosed