SCHEMBL5384452

SCHEMBL5384452

CC(=O)OC(Cc1cccnc1)C[N+](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
FDPS P14324 1/20 0.44
GALR3 O60755 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
HRH1 P35367 1/20 0.43
TBXAS1 P24557 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
CHRM1 P11229 2/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
TBXA2R P21731 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL25210655 0.73 ALDH1A1 (0.44) SMN1; SMN2LMNAGALR3MAPTBLM
SCHEMBL2308345 0.73 KMT2A (0.43) CHRNB2CHRNA4MAPTKMT2AMEN1
SCHEMBL19072128 0.71 FDPS (0.56) LMNACHRNB2CHRNA4FDPSKMT2A
SCHEMBL22468500 0.70 TBXAS1 (0.48) SMN1; SMN2LMNAFDPSKMT2AMEN1
SCHEMBL27791760 0.70 RECQL (0.48) LMNAFDPSKMT2ACYP1A2TBXAS1
SCHEMBL12240917 0.70 FDPS (0.54) LMNAFDPSKMT2ACYP1A2TBXAS1
SCHEMBL8370181 0.70 FDPS (0.54) LMNAFDPSKMT2ACYP1A2TBXAS1
SCHEMBL15455622 0.70 FDPS (0.54) LMNACHRNB2CHRNA4FDPSKMT2A
SCHEMBL29780058 0.70 FDPS (0.54) LMNAFDPSKMT2ACYP1A2TBXAS1
SCHEMBL23732837 0.70 TBXAS1 (0.61) LMNACHRNB2CHRNA4FDPSKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102719522-A Application of acetylcholinesterase gene promoter in screening anti-hepatoma drugs SHANGHAI CANCER INST 2012-10-10 CN disclosed
US-7198942-B2 Nucleotide sequences coding polypeptide for use in the generation of disease resistant plants and in human therapeutics BAYER CROPSCIENCE LP (DE) 2007-04-03 US disclosed
US-20020146765-A1 Acetylcholine receptor subunits BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 US disclosed
US-5885780-A PREPARING OLIGONUCLEOTIDES, EACH HAVING NUCLEOTIDE SEQUENCE ENCODING A POTENTIAL CONOTOXIN-LIKE PEPTIDE WHEREIN CYS RESIDUES ARE ENCODED AT CHARACTERISTIC POSITIONS AND AMINO ACID SEQUENCES ARE CODED, INSERTING INTO VECTOR, TRANSFECTING UNIVERSITY OF UTAH (US) 1999-03-23 US disclosed