SCHEMBL3896596

SCHEMBL3896596

Cc1cc([N+](=O)[O-])cc(C)c1OC(=O)C1c2ccccc2N(C)c2cc(OCCCC(=O)ON3C(=O)CCC3=O)ccc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.34
MEN1 O00255 6/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 7/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPBWR1 P48145 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3968759 0.74 MAPT (0.33) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL641603 0.73 HDAC4 (0.38) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4532049 0.72 HDAC4 (0.37) KMT2AALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL3968959 0.71 MAPT (0.31) KMT2AMAPTSMN1; SMN2NPBWR1
SCHEMBL3963359 0.71 MAPT (0.37) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL4370788 0.69 HDAC3 (0.33) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4194169 0.69 HDAC4 (0.34) KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4385124 0.68 HDAC1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL4382793 0.67 KMT2A (0.35) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL38665521 0.67 HDAC4 (0.49) KMT2AMEN1MAPTSMN1; SMN2CYP1A2

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-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5338847-A Hydrolytically stable chemiluminescent labels and their conjugates, and assays therefrom by adduct formation LONDON DIAGNOSTICS, INC. (US) 1994-08-16 US disclosed
US-5290936-A Indicators or labels for antibodies or medical diagnosis LONDON DIAGNOSTICS, INC. (US) 1994-03-01 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5283334-A Side-chain functional chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-01 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed