SCHEMBL17319259

SCHEMBL17319259

Cc1cccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1Cl

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.59
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ POLB P06746 2/20 0.58
▸ MAPT P10636 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ PSMD14 O00487 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ GFER P55789 1/20 0.57

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
SCHEMBL17319256 0.89 CTNNB1 (0.65) AKR1B1MEN1KMT2APOLBMAPT
SCHEMBL17319543 0.88 POLB (0.60) MEN1KMT2APOLB
SCHEMBL10492318 0.83 POLB (0.66) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL10492321 0.83 POLB (0.66) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL1448003 0.83 MEN1 (0.58) AKR1B1MEN1KMT2APOLBMAPT
SCHEMBL9736348 0.81 POLB (0.51) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL10492260 0.80 AKR1B1 (0.72) AKR1B1MEN1KMT2APOLBMAPT
SCHEMBL10492255 0.80 AKR1B1 (0.72) AKR1B1MEN1KMT2APOLBMAPT
SCHEMBL18102937 0.80 MEN1 (0.73) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL10492194 0.80 MMP3 (0.62) AKR1B1MEN1KMT2APOLBMAPT

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-9206412-B2 Thioxothiazolidine inhibitors COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-12-08 — — US disclosed
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