SCHEMBL8720561

SCHEMBL8720561

CCOC(=O)Cc1nc2c(=O)[nH]c(SC)nc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 4/20 0.39
MAPT P10636 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13054440 0.81 KDM4E (0.67) KDM4EHTTSMN1; SMN2MAPK1POLB
SCHEMBL8720549 0.81 KDM4E (0.56) KDM4EHTTSMN1; SMN2MAPK1POLB
SCHEMBL17622541 0.75 MAPK1 (0.48) KDM4EHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL27741354 0.74 MAPK1 (0.46) KDM4EHTTSMN1; SMN2MAPK1POLB
SCHEMBL8720515 0.73 L3MBTL1 (0.52) KDM4EHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL16580714 0.69 KDM4E (0.61) KDM4ESMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL1899259 0.67 KDM4E (0.62) KDM4EHTTSMN1; SMN2POLBALDH1A1
SCHEMBL6985352 0.65 MAPK1 (0.51) KDM4ESMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL7445391 0.65 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL6094120 0.65 KDM4E (0.52) KDM4EHTTSMN1; SMN2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759927-B1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES US GOV HEALTH & HUMAN SERV (US) 1998-06-24 EP disclosed
US-5612468-A GENETIC ENGINEERING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-18 US disclosed
EP-0759927-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-05 EP disclosed
US-5525711-A MONOMERS FOR DNA AMPLIFICATION PROCEDURES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US disclosed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 WO disclosed