SCHEMBL30379131

SCHEMBL30379131

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 1.00
BCHE P06276 4/20 1.00
MEN1 O00255 4/20 1.00
BLM P54132 4/20 1.00
KMT2A Q03164 4/20 1.00
KDM4E B2RXH2 3/20 1.00
CYP3A4 P08684 3/20 1.00
MAPT P10636 3/20 1.00
THRB P10828 3/20 1.00
HPGD P15428 3/20 1.00
CASP1 P29466 3/20 1.00
RECQL P46063 3/20 1.00
CASP7 P55210 3/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
TERT O14746 3/20 0.66
PABPC1 P11940 3/20 0.66
MITF O75030 2/20 0.66

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
SCHEMBL55279 1.00 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL29527724 0.99 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL5482694 0.99 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Bromide SCHEMBL30669741 0.99 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Bromide SCHEMBL290404 0.99 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
SCHEMBL16331307 0.99 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL29351886 0.99 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL14996 0.99 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Water SCHEMBL9106337 0.98 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
SCHEMBL16912939 0.96 ACHE (0.92) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573749-B1 PHOTOLUMINESCENT HYBRID ORGANIC/INORGANIC MATERIALS AND METHOD FOR PREPARING SAME CENTRE NAT RECH SCIENT (FR) 2023-04-12 EP disclosed