SCHEMBL5701316

SCHEMBL5701316

CCC(=NNC(N)=S)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.51
LMNA P02545 3/20 0.47
CTSK P43235 1/20 0.45
SLC2A1 P11166 1/20 0.45
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL22056886 1.00 TOP2A (0.51) TOP2ALMNACTSKSLC2A1KDM4E
SCHEMBL5701327 0.88 LMNA (0.49) TOP2ALMNACTSKKDM4EUSP2
SCHEMBL10755244 0.85 LMNA (0.47) TOP2ALMNASLC2A1KDM4EUSP2
SCHEMBL10697881 0.82 TOP2A (0.49) TOP2ALMNASLC2A1KDM4EUSP2
SCHEMBL9319994 0.81 TOP2A (0.70) TOP2ALMNACTSKSLC2A1KDM4E
SCHEMBL941093 0.81 TOP2A (0.70) TOP2ALMNACTSKSLC2A1KDM4E
SCHEMBL941092 0.81 TOP2A (0.70) TOP2ALMNACTSKSLC2A1KDM4E
SCHEMBL800985 0.81 AGTR1 (0.53) TOP2ALMNAKDM4ENPC1RAB9A
SCHEMBL3087162 0.81 TOP2A (0.49) TOP2ALMNASLC2A1KDM4EHTT
SCHEMBL29402921 0.81 AGTR1 (0.53) TOP2ALMNAKDM4ENPC1RAB9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101787000-B M-stage kinesin inhibitor KYOWA HAKKO KOGYO KK 2011-08-03 CN disclosed
CN-101787000-A M-stage kinesin inhibitor KYOWA HAKKO KOGYO KK 2010-07-28 CN disclosed
CN-1774428-B M-phase kinesin inhibitors KYOWA HAKKO KOGYO KK 2010-06-16 CN disclosed
CN-100484928-C thiadiazoline derivatives KYOWA HAKKO KOGYO KK FUJI PHOT (JP) 2009-05-06 CN disclosed
EP-1377591-B1 TUMOUR INHIBITING GALLIUM COMPOUNDS FAUSTUS FORSCHUNGS CIE (DE) 2006-06-28 EP disclosed
CN-1774428-A M-phase kinesin inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-05-17 CN disclosed
CN-1617864-A thiadiazoline derivatives KYOWA HAKKO KOGYO KK (JP) 2005-05-18 CN disclosed
EP-0831806-A1 MULTIDENTATE METAL COMPLEXES AND METHODS OF MAKING AND USING THEREOF WASHINGTON UNIVERSITY (US) 1998-04-01 EP disclosed
WO-1996040108-A1 MULTIDENTATE METAL COMPLEXES AND METHODS OF MAKING AND USING THEREOF WASHINGTON UNIVERSITY (US) 1996-12-19 WO disclosed
US-5270037-A Use of interferon and a substance with an antimalarial activity for the treatment of malaria infections BOEHRINGER INGELHEIM GMBH (DE) 1993-12-14 US disclosed
US-4739069-A TREATMENT OF GONORRHEA, MALARIA, INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1988-04-19 US disclosed
EP-0243101-A2 Insecticidal 6-aryl-pyridine thiosemicarbazones ROHM AND HAAS COMPANY (US) 1987-10-28 EP disclosed
US-4696938-A Insecticidal 6-aryl-pyridine thiosemicarbazones ROHM AND HAAS COMPANY (US) 1987-09-29 US disclosed
US-4657903-A Transition metal complexes of the selenium analogs of 2-acetyl- and 2-propionylpyridine thiosemicarbazones useful for treating malarial infections and leukemia THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-04-14 US disclosed
US-4657903-A Transition metal complexes of the selenium analogs of 2-acetyl- and 2-propionylpyridine thiosemicarbazones useful for treating malarial infections and leukemia THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-04-14 US disclosed
US-4493930-A BACTERICIDES, ANTIMALARIA, AND ANTIGONORRHEA AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1985-01-15 US disclosed
US-4493930-A BACTERICIDES, ANTIMALARIA, AND ANTIGONORRHEA AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1985-01-15 US disclosed
US-4447427-A PARTICULARLY GONORRHEA OR MALARIA THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-05-08 US disclosed
US-4447427-A PARTICULARLY GONORRHEA OR MALARIA THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-05-08 US disclosed
US-4401670-A Method for treating gonorrhea infections with 2-acetyl- and 2-propionylpyridine thiosemicarbazones THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1983-08-30 US disclosed