SCHEMBL10686609

SCHEMBL10686609

Cc1nc2c3cccc(OCc4ccccc4)c3ccn2c1CC#N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 8/20 0.74
ATP4B P51164 8/20 0.74
MAPK1 P28482 2/20 0.74
MEN1 O00255 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
BLM P54132 1/20 0.74
PMP22 Q01453 1/20 0.74
KMT2A Q03164 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK1 Q13464 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38

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
SCHEMBL1815961 0.85 ATP4A (1.00) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL10689756 0.85 ATP4A (0.55) ATP4AATP4BMAPK1MEN1CYP1A2
Iodide SCHEMBL10691067 0.84 ATP4A (0.54) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL2192822 0.80 ATP4A (1.00) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL10531597 0.77 ATP4A (0.69) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL10694506 0.77 ATP4A (0.48) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL2192635 0.76 ATP4A (0.83) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL10690155 0.76 ATP4A (0.55) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL10533472 0.76 ATP4A (0.81) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL2189930 0.76 ATP4A (0.81) ATP4AATP4BMAPK1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738967-A Imidazoisoquinoline compounds useful as anti-ulcerative agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
US-4686227-A Imidazoisoquinoline compounds useful as anti-ulcerative agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-08-11 US disclosed
EP-0165545-A2 Imidazoisoquinoline compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-27 EP disclosed