SCHEMBL3908670

SCHEMBL3908670

Cc1cc(Br)cc(C)c1-c1cccc2nc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PTBP1 P26599 1/20 0.46
RAB9A P51151 1/20 0.46
RCE1 Q9Y256 1/20 0.46
PDE10A Q9Y233 1/20 0.41
MAPT P10636 2/20 0.41
ACHE P22303 1/20 0.41
MBNL1 Q9NR56 1/20 0.41
CYP1A2 P05177 1/20 0.38
ESR1 P03372 2/20 0.37

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
SCHEMBL10010909 0.88 ALDH1A1 (0.49) NQO2TDP1ALDH1A1HPGDKDM4E
SCHEMBL29664592 0.88 ALDH1A1 (0.49) NQO2TDP1ALDH1A1HPGDKDM4E
SCHEMBL28229302 0.79 ALDH1A1 (0.53) NQO2TDP1ALDH1A1HPGDKDM4E
SCHEMBL7126854 0.79 ALDH1A1 (0.46) NQO2TDP1ALDH1A1HPGDKDM4E
SCHEMBL27961756 0.79 ALDH1A1 (0.56) NQO2TDP1ALDH1A1HPGDKDM4E
SCHEMBL4014126 0.78 KMT2A (0.64) NQO2TDP1ALDH1A1HPGDKDM4E
SCHEMBL29774505 0.76 ALDH1A1 (0.50) TDP1ALDH1A1HPGDKDM4EGLA
SCHEMBL28560797 0.76 ALDH1A1 (0.46) NQO2TDP1ALDH1A1HPGDKDM4E
SCHEMBL28265823 0.76 ALDH1A1 (0.53) NQO2TDP1ALDH1A1HPGDKDM4E
SCHEMBL10441146 0.75 BIRC5 (0.54) ALDH1A1HPGDKDM4EGLAGAA

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 6 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
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