SCHEMBL8720549

SCHEMBL8720549

CCOC(=O)Cc1nc2c(=O)nc(SC)[nH]c2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
CHEK1 O14757 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8720561 0.81 KDM4E (0.61) KDM4EMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL13054440 0.78 KDM4E (0.67) KDM4EMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL8720513 0.73 NSD2 (0.49) KDM4EHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL30400798 0.69 KDM4E (0.51) KDM4EMAPK1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17622541 0.67 MAPK1 (0.48) KDM4EMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL1899259 0.66 KDM4E (0.62) KDM4EHTTALDH1A1SMN1; SMN2POLB
SCHEMBL16580714 0.66 KDM4E (0.61) KDM4EMAPK1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7445391 0.64 SMN1; SMN2 (0.49) KDM4EMAPK1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6985352 0.64 MAPK1 (0.51) KDM4EMAPK1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7374513 0.63 MAPK1 (0.47) KDM4EMAPK1ALDH1A1SMN1; SMN2HSD17B10

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