SCHEMBL3963359

SCHEMBL3963359

Cc1cc([N+](=O)[O-])cc(C)c1OC(=O)c1c2ccccc2nc2cc(OCCCC(=O)ON3C(=O)CCC3=O)ccc12.O=S(=O)(O)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
NPBWR1 P48145 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
APP P05067 1/20 0.32
ACKR3 P25106 2/20 0.32
HPGD P15428 1/20 0.32
MMP13 P45452 1/20 0.31
MEN1 O00255 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
SCHEMBL9429214 0.86 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1RXFP1KDM4E
SCHEMBL3968959 0.85 MAPT (0.31) MAPTSMN1; SMN2KMT2ANPBWR1PSEN1
SCHEMBL3968759 0.83 MAPT (0.33) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL3967776 0.83 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1RXFP1KDM4E
SCHEMBL3899668 0.81 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1RXFP1KDM4E
SCHEMBL6698768 0.78 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1RXFP1KDM4E
SCHEMBL7047790 0.74 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1RXFP1KDM4E
SCHEMBL3896596 0.71 KMT2A (0.34) MAPTSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL7118784 0.71 KDM4E (0.40) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL30659834 0.70 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1RXFP1KDM4E

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 8 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-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
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed