SCHEMBL7697776

SCHEMBL7697776

Cc1ccc(Nc2nc3cc4ccccc4cc3nc2-c2cccs2)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 6/20 0.53
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 4/20 0.41
SRPK1 Q96SB4 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
PGK1 P00558 1/20 0.40
AHR P35869 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7692003 0.77 RPS6KB2 (0.53) RPS6KB2MEN1KMT2AMAPTLMNA
SCHEMBL7697753 0.77 RPS6KB2 (0.60) RPS6KB2MEN1KMT2AMAPTLMNA
SCHEMBL7697772 0.76 RPS6KB2 (0.58) RPS6KB2MEN1KMT2AMAPTLMNA
SCHEMBL7696289 0.74 KMT2A (0.58) RPS6KB2MEN1KMT2AMAPTLMNA
SCHEMBL7696931 0.74 RPS6KB2 (0.55) RPS6KB2MEN1KMT2AMAPTLMNA
SCHEMBL6234077 0.73 GAA (0.50) RPS6KB2MEN1KMT2AMAPTLMNA
SCHEMBL7690215 0.72 RPS6KB2 (0.60) RPS6KB2MEN1KMT2AMAPTLMNA
SCHEMBL7695652 0.72 RPS6KB2 (0.60) RPS6KB2MEN1KMT2AMAPTLMNA
SCHEMBL7692571 0.72 RPS6KB2 (1.00) RPS6KB2MEN1KMT2AMAPTLMNA
SCHEMBL7696272 0.72 RPS6KB2 (0.77) RPS6KB2MAPTLMNAKDM4ESRPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO claimed
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed