SCHEMBL3900538

SCHEMBL3900538

Cc1cc([N+](=O)[O-])cc(C)c1-c1cccc2nc3ccccc3c(C(=O)O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
ALDH1A1 P00352 7/20 0.45
TDP1 Q9NUW8 2/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE10A Q9Y233 2/20 0.42
GAA P10253 3/20 0.41
GLA P06280 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 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
SCHEMBL3909189 0.85 MAPT (0.44) MAPTALDH1A1TDP1THRBKMT2A
SCHEMBL3907398 0.84 PDE10A (0.44) ALDH1A1KMT2AKDM4EMEN1PDE10A
SCHEMBL3904685 0.83 PDE10A (0.46) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL29112020 0.80 KMT2A (0.43) MAPTALDH1A1TDP1KMT2AKDM4E
SCHEMBL7047836 0.78 PDE10A (0.43) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL9424864 0.76 GLA (0.40) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL29112027 0.75 KMT2A (0.34) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL7590081 0.74 PDE10A (0.58) ALDH1A1KMT2AMEN1PDE10APOLB
SCHEMBL7047790 0.74 MAPT (0.55) MAPTALDH1A1TDP1THRBKMT2A
SCHEMBL3898412 0.73 RAB9A (0.58) MAPTALDH1A1KMT2AKDM4EMEN1

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 9 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-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
US-5281712-A Ammonium substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-01-25 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