SCHEMBL4063489

SCHEMBL4063489

COS(=O)(=O)O.Nc1ccc2nc3ccccc3nc2c1

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.40
KMT2A Q03164 7/20 0.47
ATM Q13315 2/20 0.47
TLR9 Q9NR96 2/20 0.47
MEN1 O00255 6/20 0.46
NPC1 O15118 5/20 0.46
NQO2 P16083 5/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
HTR3A P46098 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
PIK3CG P48736 1/20 0.42

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
Phenazine SCHEMBL10876543 0.84 MAPT (0.50) KMT2AMEN1NPC1NQO2RAB9A
Phenazine SCHEMBL94396 0.84 MAPT (0.50) KMT2AMEN1NPC1NQO2RAB9A
Phenazine SCHEMBL2873102 0.84 MAPT (0.50) KMT2AMEN1NPC1NQO2RAB9A
SCHEMBL9602629 0.81 MEN1 (0.46) KMT2AMEN1NPC1NQO2RAB9A
SCHEMBL5803173 0.80 KMT2A (0.67) KMT2AATMTLR9MEN1NPC1
SCHEMBL29903456 0.80 KMT2A (0.67) KMT2AATMTLR9MEN1NPC1
SCHEMBL9603007 0.78 TDP1 (0.57) KMT2AATMMEN1NPC1NQO2
Acridine SCHEMBL2823221 0.78 ALDH1A1 (0.58) KMT2AMEN1NPC1NQO2RAB9A
SCHEMBL15285573 0.74 TSHR (0.54) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL3480837 0.74 KMT2A (0.67) KMT2AATMTLR9MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501938-B1 ANALYSIS OF SUBSTRATE UTILIZATION BY ANIMAL OR PLANT CELLS BIOLOG INC (US) 2009-10-21 EP claimed
EP-1501938-A4 COMPARATIVE PHENOTYPE ANALYSIS OF CELLS, INCLUDING TESTING OF BIOLOGICALLY ACTIVE COMPOUNDS BIOLOG INC (US) 2007-01-03 EP claimed
EP-1501938-A2 COMPARATIVE PHENOTYPE ANALYSIS OF CELLS, INCLUDING TESTING OF BIOLOGICALLY ACTIVE COMPOUNDS BIOLOG, INC. (US) 2005-02-02 EP claimed
WO-2003089652-A2 COMPARATIVE PHENOTYPE ANALYSIS OF CELLS, INCLUDING TESTING OF BIOLOGICALLY ACTIVE COMPOUNDS BIOLOG, INC. (US) 2003-10-30 WO claimed
US-20030162164-A1 Comparative phenotype analysis of cells, including testing of biologically active compounds BIOLOG, INC. 2003-08-28 US claimed
US-9274101-B2 Methods and kits for obtaining a metabolic profile of living animal cells BIOLOG, INC. (US) 2016-03-01 US disclosed
EP-1501938-B1 ANALYSIS OF SUBSTRATE UTILIZATION BY ANIMAL OR PLANT CELLS BIOLOG INC (US) 2009-10-21 EP disclosed
EP-1501938-A4 COMPARATIVE PHENOTYPE ANALYSIS OF CELLS, INCLUDING TESTING OF BIOLOGICALLY ACTIVE COMPOUNDS BIOLOG INC (US) 2007-01-03 EP disclosed
US-20060286627-A1 Methods and kits for obtaining a metabolic profile of living animal cells BIOLOG INC. (US) 2006-12-21 US disclosed
US-20050260558-A1 Comparative phenotype analysis of cells including testing of biologically active chemicals BIOLOG INC. (US) 2005-11-24 US disclosed
EP-1501938-A2 COMPARATIVE PHENOTYPE ANALYSIS OF CELLS, INCLUDING TESTING OF BIOLOGICALLY ACTIVE COMPOUNDS BIOLOG, INC. (US) 2005-02-02 EP disclosed
WO-2003089652-A2 COMPARATIVE PHENOTYPE ANALYSIS OF CELLS, INCLUDING TESTING OF BIOLOGICALLY ACTIVE COMPOUNDS BIOLOG, INC. (US) 2003-10-30 WO disclosed
US-20030162164-A1 Comparative phenotype analysis of cells, including testing of biologically active compounds BIOLOG, INC. 2003-08-28 US disclosed