SCHEMBL5068712

SCHEMBL5068712

O=C(CS)c1ccc(I)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ HDAC9 Q9UKV0 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55
▸ TPMT P51580 1/20 0.52
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ GSK3B P49841 4/20 0.45
▸ PDPK1 O15530 2/20 0.44
▸ APP P05067 1/20 0.40
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ PTPN1 P18031 1/20 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
SCHEMBL11673763 0.87 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11695106 0.78 GSK3B (0.64) TPMTCA1CA2GSK3BPDPK1
SCHEMBL10975484 0.78 TSHR (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3341123 0.78 TPMT (0.54) TPMTCA1CA2GSK3BPDPK1
SCHEMBL11826389 0.78 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL743683 0.76 TPMT (0.52) TPMTCA1CA2GSK3BPDPK1
SCHEMBL8285849 0.76 GSK3B (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL661834 0.76 SMN1; SMN2 (0.57) TPMTCA1CA2GSK3BPDPK1
SCHEMBL13655368 0.76 TPMT (0.52) TPMTCA1CA2GSK3BPDPK1
SCHEMBL3182097 0.76 GSK3B (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120064645-A SERS probe combination and kit and method for identifying and/or quantifying platelet-adhesive CTC 复旦大学附属中山医院 2025-05-30 — — CN disclosed
EP-1319231-A4 PROGRAMMABLE MOLECULAR DEVICE UNIV WM MARSH RICE (US) 2008-11-19 — — EP disclosed
EP-1542869-A2 MOLECULAR SCALE ELECTRONIC DEVICES Yale University (US) 2005-06-22 — — EP disclosed
EP-1542869-A4 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2005-06-22 — — EP disclosed
US-20050101063-A1 Three-terminal field-controlled molecular devices TOUR JAMES M (US) 2005-05-12 — — US disclosed
US-6756605-B1 Molecular scale electronic devices YALE UNIVERSITY 2004-06-29 — — US disclosed
EP-1319231-A1 PROGRAMMABLE MOLECULAR DEVICE Wm. MARSH RICE UNIVERSITY (US) 2003-06-18 — — EP disclosed
US-20030058697-A1 Programmable molecular device NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA OFFICE OF NAVAL RESEARCH 2003-03-27 — — US disclosed
WO-2001027972-A9 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2002-11-14 — — WO disclosed
WO-2002035580-A2 THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES MOLECULAR ELECTRONICS CORPORATION (US) 2002-05-02 — — WO disclosed
WO-2002009117-A1 PROGRAMMABLE MOLECULAR DEVICE WM. MARSH RICE UNIVERSITY (US) 2002-01-31 — — WO disclosed
WO-2001027972-A2 MOLECULAR SCALE ELECTRONIC DEVICES YALE UNIVERSITY (US) 2001-04-19 — — WO disclosed
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