SCHEMBL8725013

SCHEMBL8725013

Nc1nc(-c2ccccc2)nc2[nH]c(=O)cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
PMP22 Q01453 1/20 0.49
ADORA2A P29274 7/20 0.42
ADORA1 P30542 6/20 0.42
ADORA3 P0DMS8 5/20 0.42
DPP4 P27487 1/20 0.42
ADORA2B P29275 2/20 0.40
POLB P06746 1/20 0.40
NOS1 P29475 1/20 0.39
KMT2A Q03164 2/20 0.39
XDH P47989 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL29984999 0.76 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL28530033 0.75 ADORA2A (0.46) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL1741363 0.75 ADORA2A (0.46) KDM4EHSD17B10ADORA2AADORA1ADORA3
SCHEMBL3855027 0.73 NPC1 (0.47) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL3853223 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL5481545 0.70 KDM4E (0.51) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL2234905 0.69 NPC1 (0.42) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL2066789 0.69 ADORA2A (0.46) ALDH1A1KDM4EHSD17B10LMNAADORA2A
SCHEMBL5612971 0.69 KDM4E (0.53) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL10692107 0.67 ADORA2B (0.49) ALDH1A1KDM4EHSD17B10ADORA2AADORA1

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