SCHEMBL7516057

SCHEMBL7516057

O=C(O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
NR3C1 P04150 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 4/20 0.45
USP2 O75604 3/20 0.45
CYP1A2 P05177 3/20 0.45
TSHR P16473 2/20 0.45
CYP2D6 P10635 2/20 0.45
DPP4 P27487 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 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
SCHEMBL24249397 0.84 HSD11B1 (0.46) HSD11B1KMT2APKMNR3C1ALDH1A1
SCHEMBL8877293 0.81 CYP2D6 (0.53) KMT2AALDH1A1CYP3A4USP2CYP1A2
Hydrochloric Acid SCHEMBL8876539 0.81 KDM4E (0.51) KMT2APKMALDH1A1CYP3A4TSHR
SCHEMBL8877209 0.76 CYP2D6 (0.57) HSD11B1KMT2APKMALDH1A1USP2
Hydrochloric Acid SCHEMBL8877767 0.74 SIGMAR1 (0.51) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL2701428 0.74 KMT2A (0.55) HSD11B1KMT2APKMNR3C1ALDH1A1
SCHEMBL12333837 0.71 RECQL (0.44) KMT2AALDH1A1TSHRMEN1POLB
Toluene SCHEMBL2464816 0.70 KMT2A (0.43) KMT2AALDH1A1MEN1POLBGAA
SCHEMBL2464539 0.69 KMT2A (0.40) HSD11B1KMT2AMEN1POLBGAA
Hydrochloric Acid SCHEMBL8875080 0.68 OPRM1 (0.53) LMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833945-B1 DNA POLYMERASE EXTENSION ASSAY MERCK & CO INC (US) 2002-01-30 EP disclosed
EP-0832292-B1 DNA POLYMERASE EXTENSION ASSAY FOR INFLUENZA VIRUS ENDONUCLEASE MERCK & CO INC (US) 2002-01-30 EP disclosed
US-6100028-A DETECTING SITE-SPECIFIC RIBOZYME ACTIVITY IN SAMPLE BY MIXING SUBSTRATE, SAMPLE AND INHIBITOR TO GENERATE RNA PRODUCT, HYBRIDIZING TO DNA, ADDING RADIOLABELED NUCLEOTIDE, ADDING DNA POLYMERASE, FILTERING TO RETAIN POLYMERASE PRODUCT, MEASURING MERCK & CO., INC. (US) 2000-08-08 US disclosed
EP-0832292-A4 DNA POLYMERASE EXTENSION ASSAY FOR INFLUENZA VIRUS ENDONUCLEASE MERCK & CO INC (US) 1999-05-26 EP disclosed
EP-0833945-A4 DNA POLYMERASE EXTENSION ASSAY MERCK & CO INC (US) 1999-05-19 EP disclosed
EP-0833945-A1 DNA POLYMERASE EXTENSION ASSAY Merck & Co., Inc. (US) 1998-04-08 EP disclosed
EP-0832292-A1 DNA POLYMERASE EXTENSION ASSAY FOR INFLUENZA VIRUS ENDONUCLEASE Merck & Co., Inc. (US) 1998-04-01 EP disclosed
US-5660989-A DNA polymerase extension assay for influenza virus endonuclease MERCK & CO., INC. (US) 1997-08-26 US disclosed
WO-1996040994-A1 DNA POLYMERASE EXTENSION ASSAY MERCK & CO., INC. (US) 1996-12-19 WO disclosed
WO-1996040993-A1 DNA POLYMERASE EXTENSION ASSAY FOR INFLUENZA VIRUS ENDONUCLEASE MERCK & CO., INC. (US) 1996-12-19 WO disclosed