SCHEMBL17801442

SCHEMBL17801442

CCN(C)C=Nc1cc2cccc(CCc3ccccc3)c2nc1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TERT O14746 1/20 0.30
DHFR P00374 1/20 0.30
ADK P55263 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
KCNH2 Q12809 1/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL17801440 1.00 ATP4A (0.36) ATP4AATP4BL3MBTL1NPC1MAPK1
SCHEMBL17801446 0.94 ADK (0.32) ATP4AATP4BL3MBTL1TDP1TERT
SCHEMBL17801449 0.94 ADK (0.32) ATP4AATP4BL3MBTL1TDP1TERT
SCHEMBL17801565 0.90 L3MBTL1 (0.33) L3MBTL1MAPK1TERTDRD4DRD3
SCHEMBL17801563 0.90 L3MBTL1 (0.33) L3MBTL1MAPK1TERTDRD4DRD3
SCHEMBL17801391 0.84 MEN1 (0.43) TERT
SCHEMBL17801418 0.83 TERT (0.31) TERT
SCHEMBL17801416 0.83 TERT (0.31) TERT
SCHEMBL17801436 0.79 ALDH1A1 (0.35)
SCHEMBL17801404 0.79 ALDH1A1 (0.35)

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
WO-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed