SCHEMBL3902045

SCHEMBL3902045

COc1cccc(OC)c1-c1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
PDE10A Q9Y233 2/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
DHODH Q02127 6/20 0.56
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
TACR3 P29371 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL24122754 0.81 LMNA (1.00) LMNAPDE10ATSHRDHODHCYP2D6
SCHEMBL3959255 0.79 TACR3 (0.68) LMNAPDE10ATSHRDHODHCYP2D6
SCHEMBL13223636 0.77 NPC1 (0.59) PDE10ATSHRNPC1RAB9ADHODH
SCHEMBL3898412 0.76 RAB9A (0.58) LMNAPDE10ANPC1RAB9ADHODH
SCHEMBL26294308 0.75 LMNA (0.74) LMNAPDE10ATSHRDHODHCYP2D6
SCHEMBL3737884 0.75 NPC1 (0.56) LMNAPDE10ATSHRNPC1RAB9A
SCHEMBL29290337 0.74 DHODH (0.69) LMNAPDE10ATSHRDHODHCYP2D6
SCHEMBL1581468 0.74 PDE10A (1.00) LMNAPDE10ATSHRDHODHCYP2D6
SCHEMBL24122621 0.74 LMNA (0.83) LMNAPDE10ATSHRDHODHCYP2D6
SCHEMBL30299429 0.74 LMNA (0.83) LMNAPDE10ATSHRDHODHCYP2D6

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 7 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-5284952-A Sulfonyl substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-08 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
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed