SCHEMBL7695652

SCHEMBL7695652

Brc1ccc(Nc2nc3cc4ccccc4cc3nc2-c2cccs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 6/20 0.60
TP53 P04637 1/20 0.45
PDE5A O76074 1/20 0.43
SRPK1 Q96SB4 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
GBA1 P04062 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
PGK1 P00558 1/20 0.41
KDM1A O60341 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
FBP1 P09467 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
CYP1A2 P05177 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
SCHEMBL6238376 0.91 PDE5A (0.49) RPS6KB2TP53PDE5AMEN1KMT2A
SCHEMBL7690215 0.87 RPS6KB2 (0.60) RPS6KB2PDE5ASRPK1MEN1KMT2A
SCHEMBL7695845 0.85 RPS6KB2 (0.57) RPS6KB2PDE5ASRPK1MEN1KMT2A
SCHEMBL7696931 0.83 RPS6KB2 (0.55) RPS6KB2TP53SRPK1MEN1KMT2A
SCHEMBL7697772 0.81 RPS6KB2 (0.58) RPS6KB2TP53PDE5ASRPK1MEN1
SCHEMBL7694559 0.80 RPS6KB2 (0.51) RPS6KB2PDE5AMEN1KMT2AKDM4E
SCHEMBL7691053 0.80 MAPT (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7697783 0.80 RPS6KB2 (0.57) RPS6KB2PDE5AMEN1KMT2AKDM4E
SCHEMBL7691382 0.80 ABCG2 (0.61) RPS6KB2PDE5ASRPK1MEN1KMT2A
SCHEMBL7697803 0.80 ABCG2 (0.62) RPS6KB2MEN1KMT2AKDM4EALDH1A1

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 1 patent. 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 disclosed