SCHEMBL10417660

SCHEMBL10417660

CCc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 1/20 0.73
▸ PTPN22 Q9Y2R2 1/20 0.73
▸ MYC P01106 3/20 0.71
▸ MAX P61244 3/20 0.71
▸ AKR1B1 P15121 6/20 0.67
▸ PTPN1 P18031 4/20 0.67
▸ MMP3 P08254 2/20 0.67
▸ MMP13 P45452 2/20 0.67
▸ KMT2A Q03164 5/20 0.65
▸ MEN1 O00255 3/20 0.64
▸ PSMD14 O00487 2/20 0.64
▸ MAPT P10636 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL10417661 1.00 PTPN12 (0.73) PTPN12PTPN22MYCMAXAKR1B1
SCHEMBL6887171 0.90 PTPN12 (0.70) PTPN12PTPN22MYCMAXAKR1B1
SCHEMBL6887175 0.90 PTPN12 (0.70) PTPN12PTPN22MYCMAXAKR1B1
SCHEMBL12008740 0.88 MYC (0.83) PTPN12PTPN22MYCMAXAKR1B1
SCHEMBL6879204 0.87 AKR1B1 (0.70) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6879207 0.87 AKR1B1 (0.70) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6886567 0.87 PTPN12 (0.77) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL10491513 0.87 PTPN12 (0.77) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6886565 0.87 PTPN12 (0.77) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL12661909 0.86 PTPN12 (0.75) PTPN12PTPN22AKR1B1PTPN1MMP3

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-4965155-A HIGH MOLECULAR WEIGHT POLYMERCONTAINING RHODANINE DERIVATIVE MITA INDUSTRIAL CO., LTD. (JP) 1990-10-23 — — US disclosed
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