SCHEMBL2065612

SCHEMBL2065612

COCCOc1ccc(-c2ccc(OCc3ccccc3)c(C=C3SC(=S)NC3=O)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 9/20 0.79
▸ PTPN1 P18031 2/20 0.63
▸ CISD1 Q9NZ45 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ MMP13 P45452 2/20 0.58
▸ MMP3 P08254 1/20 0.58
▸ ADAMTS5 Q9UNA0 4/20 0.58
▸ GSK3B P49841 1/20 0.52

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
SCHEMBL10090266 0.91 PTP4A3 (0.85) PTP4A3PTPN1CISD1MEN1KMT2A
SCHEMBL2067343 0.88 PTP4A3 (1.00) PTP4A3PTPN1CISD1MEN1KMT2A
SCHEMBL2067340 0.88 PTP4A3 (1.00) PTP4A3PTPN1CISD1MEN1KMT2A
SCHEMBL2065609 0.86 PTP4A3 (0.77) PTP4A3PTPN1CISD1MEN1KMT2A
SCHEMBL2065614 0.86 PTP4A3 (0.77) PTP4A3PTPN1CISD1MEN1KMT2A
SCHEMBL10090227 0.85 PTP4A3 (0.75) PTP4A3PTPN1CISD1MEN1KMT2A
SCHEMBL2064654 0.85 PTP4A3 (0.75) PTP4A3PTPN1CISD1MEN1KMT2A
SCHEMBL2064655 0.85 PTP4A3 (0.75) PTP4A3PTPN1CISD1MEN1KMT2A
SCHEMBL10090269 0.84 PTP4A3 (1.00) PTP4A3PTPN1CISD1MEN1KMT2A
SCHEMBL2065002 0.84 PTP4A3 (1.00) PTP4A3PTPN1CISD1MEN1KMT2A

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-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 — — US claimed
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