SCHEMBL15423872

SCHEMBL15423872

C[n+]1ccn(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
SLC6A4 P31645 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL16000694 1.00 SLC22A2 (0.39) SLC22A2SLC22A1SLC22A3SLC6A4L3MBTL1
SCHEMBL16000683 0.96 SLC22A2 (0.47) SLC22A2SLC22A1SLC22A3SLC6A4L3MBTL1
SCHEMBL16000716 0.96 SLC22A2 (0.47) SLC22A2SLC22A1SLC22A3SLC6A4L3MBTL1
SCHEMBL15423871 0.85 SLC6A2 (0.34) SLC6A4L3MBTL1LMNATHRBHPGD
Iodide SCHEMBL2530877 0.82 QDPR (0.34) SLC22A2SLC22A1SLC22A3SLC6A4L3MBTL1
SCHEMBL12696241 0.80 ACHE (0.46) SLC22A2SLC22A1SLC22A3SLC6A4L3MBTL1
SCHEMBL666881 0.80 LMNA (0.41) SLC22A2SLC22A1SLC22A3SLC6A4L3MBTL1
Hydrochloric Acid SCHEMBL384462 0.78 LMNA (0.44) SLC22A2SLC22A1SLC22A3SLC6A4L3MBTL1
SCHEMBL12220256 0.78 LMNA (0.33) L3MBTL1LMNATHRBHPGDMEN1
SCHEMBL384827 0.77 LMNA (0.38) SLC22A2SLC22A1SLC22A3SLC6A4L3MBTL1

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-9923152-B2 Organic ionic functional materials MERCK PATENT GMBH (DE) 2018-03-20 US disclosed
US-20140014885-A1 ORGANIC IONIC FUNCTIONAL MATERIALS MERCK PATENT GMBH (DE) 2014-01-16 US disclosed