SCHEMBL7697803

SCHEMBL7697803

COc1ccc(Nc2nc3cc4ccccc4cc3nc2-c2cccs2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.62
ABCB1 P08183 6/20 0.62
ABCC1 P33527 4/20 0.62
RPS6KB2 Q9UBS0 3/20 0.59
PGK1 P00558 1/20 0.52
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
GBA1 P04062 1/20 0.46
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL7696289 0.83 KMT2A (0.58) RPS6KB2PGK1KDM4EMAPTALDH1A1
SCHEMBL7696554 0.83 ABCG2 (0.58) ABCG2ABCB1ABCC1MAPTKMT2A
SCHEMBL7690215 0.80 RPS6KB2 (0.60) ABCG2RPS6KB2PGK1KDM4EMAPT
SCHEMBL7695652 0.80 RPS6KB2 (0.60) ABCG2RPS6KB2PGK1KDM4EMAPT
SCHEMBL7697772 0.79 RPS6KB2 (0.58) ABCG2ABCB1RPS6KB2KDM4EMAPT
SCHEMBL7696931 0.78 RPS6KB2 (0.55) ABCG2ABCB1RPS6KB2KDM4EMAPT
SCHEMBL7695845 0.78 RPS6KB2 (0.57) ABCG2RPS6KB2PGK1KDM4EMAPT
SCHEMBL7697783 0.78 RPS6KB2 (0.57) ABCG2ABCB1RPS6KB2PGK1KDM4E
SCHEMBL7691382 0.78 ABCG2 (0.61) ABCG2ABCB1RPS6KB2KDM4EMAPT
SCHEMBL7694559 0.76 RPS6KB2 (0.51) RPS6KB2PGK1KDM4EMAPTALDH1A1

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