SCHEMBL16912939

SCHEMBL16912939

CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[N-]=[N+]=[N-].[N-]=[N+]=[N-]

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.92
BCHE P06276 4/20 0.92
MEN1 O00255 4/20 0.92
BLM P54132 4/20 0.92
KMT2A Q03164 4/20 0.92
KDM4E B2RXH2 3/20 0.92
CYP3A4 P08684 3/20 0.92
MAPT P10636 3/20 0.92
THRB P10828 3/20 0.92
HPGD P15428 3/20 0.92
CASP1 P29466 3/20 0.92
RECQL P46063 3/20 0.92
CASP7 P55210 3/20 0.92
CYP1A2 P05177 1/20 0.92
CYP2D6 P10635 1/20 0.92
CYP2C9 P11712 1/20 0.92
CYP2C19 P33261 1/20 0.92
TERT O14746 3/20 0.61
MITF O75030 2/20 0.61
NSD2 O96028 2/20 0.61

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
SCHEMBL3629831 1.00 ACHE (0.92) ACHEBCHEMEN1BLMKMT2A
Bromide SCHEMBL1132963 0.99 ACHE (0.90) ACHEBCHEMEN1BLMKMT2A
SCHEMBL30379131 0.96 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
SCHEMBL55279 0.96 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL5482694 0.95 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL14996 0.95 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
SCHEMBL16331307 0.95 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Bromide SCHEMBL30669741 0.95 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL29351886 0.95 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL29527724 0.95 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738939-B2 Method for differentiating between living and dead cells SARTORIUS STEDIM BIOTECH GMBH (DE) 2017-08-22 US disclosed
US-20150203898-A1 Method For Differentiating Between Living And Dead Cells SARTORIUS STEDIM BIOTECH GMBH (DE) 2015-07-23 US disclosed