SCHEMBL8844067

SCHEMBL8844067

NC(CCC=S)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ IDO1 P14902 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ SLC1A1 P43005 4/20 0.44
▸ SLC1A3 P43003 3/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LTA4H P09960 2/20 0.43
▸ SLC15A1 P46059 1/20 0.43
▸ LAP3 P28838 1/20 0.43
▸ SLC1A2 P43004 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL14517178 0.86 KMT2A (0.49) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL12873771 0.86 KMT2A (0.49) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL17375357 0.85 KMT2A (0.47) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL4161005 0.82 IDO1 (0.53) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL10441465 0.82 IDO1 (0.53) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL535584 0.81 ALDH1A1 (0.50) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL22433276 0.81 ALDH1A1 (0.50) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL22433275 0.81 ALDH1A1 (0.50) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL1245400 0.81 ALDH1A1 (0.50) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL7012123 0.81 ALDH1A1 (0.50) KMT2ASLC6A2SLC6A3TDP1IDO1

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 — — US disclosed
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