SCHEMBL3904685

SCHEMBL3904685

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.46
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.43
MYC P01106 1/20 0.41
DHODH Q02127 4/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3907398 0.85 PDE10A (0.44) PDE10AKMT2ATSHRMYCDHODH
SCHEMBL3900538 0.83 MAPT (0.45) PDE10AKMT2ATSHRMEN1NPC1
SCHEMBL7047836 0.82 PDE10A (0.43) PDE10AKMT2ATSHRMYCDHODH
SCHEMBL7590081 0.78 PDE10A (0.58) PDE10AKMT2ATSHRDHODHMEN1
SCHEMBL3898412 0.77 RAB9A (0.58) PDE10AKMT2ADHODHMEN1LMNA
SCHEMBL4413030 0.77 RAB9A (0.39) PDE10AKMT2ATSHRDHODHMEN1
Hydrochloric Acid SCHEMBL9842693 0.77 PDE10A (0.57) PDE10AKMT2ATSHRDHODHMEN1
SCHEMBL10476973 0.77 DHODH (0.54) PDE10AKMT2ATSHRDHODHMEN1
SCHEMBL27802771 0.75 PDE10A (0.50) PDE10AKMT2ATSHRDHODHMEN1
SCHEMBL7049387 0.74 DHODH (0.51) PDE10AKMT2ATSHRDHODHMEN1

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