SCHEMBL8720515

SCHEMBL8720515

CSc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.46
NSD2 O96028 1/20 0.42
CASP6 P55212 1/20 0.42
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.36
XDH P47989 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.34
PPARG P37231 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8720513 0.74 NSD2 (0.49) L3MBTL1HTTNSD2CASP6KDM4E
SCHEMBL8720561 0.73 KDM4E (0.61) L3MBTL1HTTKDM4EKMT2AMEN1
SCHEMBL10007309 0.71 KDM4E (0.49) L3MBTL1HTTKDM4EALDH1A1LMNA
SCHEMBL9879120 0.71 HTT (0.63) L3MBTL1HTTKDM4EKMT2AMEN1
SCHEMBL8515729 0.69 L3MBTL1 (0.48) L3MBTL1HTTKDM4EKMT2AMEN1
SCHEMBL844444 0.69 L3MBTL1 (1.00) L3MBTL1HTTKDM4EALDH1A1LMNA
SCHEMBL12036847 0.68 L3MBTL1 (0.52) L3MBTL1HTTKDM4EKMT2AMEN1
SCHEMBL8720542 0.67 KDM4E (0.53) L3MBTL1NSD2CASP6KDM4EKMT2A
SCHEMBL10857521 0.66 KDM4E (0.63) L3MBTL1HTTKDM4EALDH1A1LMNA
SCHEMBL6423600 0.66 NSD2 (0.40) L3MBTL1NSD2CASP6KDM4EALDH1A1

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