SCHEMBL11534301

SCHEMBL11534301

c1ccc(COc2ccc[n+]3ccn(Cc4ccccc4)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.48
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 2/20 0.40
DRD2 P14416 1/20 0.40
LIPE Q05469 1/20 0.39
LTA4H P09960 1/20 0.38
NPC1 O15118 1/20 0.38
BRD4 O60885 1/20 0.37
DAPK1 P53355 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATP4A P20648 1/20 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
Bromide SCHEMBL11538178 0.99 MAPK14 (0.47) MAPK14MAPTMAPK1TDP1L3MBTL1
Water SCHEMBL11536741 0.87 MAPK14 (0.40) MAPK14MAPTALDH1A1HPGDHTR1A
Water SCHEMBL11535731 0.83 SIGMAR1 (0.42) MAPK14
SCHEMBL27906184 0.75 MAPK14 (0.66) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL271730 0.70 MAPK14 (0.68) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL7839414 0.69 MAPT (0.45) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL11539144 0.68 ALDH1A1 (0.42) MAPK14L3MBTL1SMN1; SMN2HTTMEN1
SCHEMBL339812 0.68 MAPT (0.71) MAPK14MAPTMAPK1TDP1L3MBTL1
Bromide SCHEMBL11539330 0.68 CA1 (0.36) MAPTTDP1L3MBTL1SMN1; SMN2HTT
SCHEMBL18049242 0.68 HTR6 (0.67) MAPK14MAPTMAPK1TDP1L3MBTL1

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
US-4163745-A ANTIDIABETIC, HYPOGLYCEMIC PFIZER INC. (US) 1979-08-07 US disclosed
US-4141898-A Imidazo pyridinium quaternary salts as hypoglycemic agents PFIZER INC. (US) 1979-02-27 US disclosed
US-4129567-A IMIDAZOPYRIDINES AND ISOB IDINE PFIZER INC. (US) 1978-12-12 US disclosed
US-4097598-A Quaternary salts as hypoglycemic agents PFIZER INC. (US) 1978-06-27 US disclosed
US-4093616-A PYRROLO(1,2-A)PYRAZINIUM, PYRAZOLO(1,5-A)PYRIDINIUM, 1H-IMIDAZO(2,1-A)ISOQUINOLINIUM, OR IMIDAZO(5,1-A)ISOQUINOLINIUM SALTS PFIZER INC. (US) 1978-06-06 US disclosed
US-4044015-A Imidazopyridinium compounds as hypoglycemic agents PFIZER INC. (US) 1977-08-23 US disclosed