SCHEMBL17801565

SCHEMBL17801565

CCN(C)C=Nc1cc2cccc(Cc3ccccc3)c2nc1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
TERT O14746 2/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
KDR P35968 1/20 0.31
INSR P06213 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ENPP1 P22413 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
SCHEMBL17801563 1.00 L3MBTL1 (0.33) L3MBTL1DRD3DRD4KDM4EALDH1A1
SCHEMBL17801440 0.90 ATP4A (0.36) L3MBTL1DRD3DRD4MAPK1TERT
SCHEMBL17801446 0.88 ADK (0.32) L3MBTL1DRD3TERTDRD1
SCHEMBL17801449 0.88 ADK (0.32) L3MBTL1DRD3TERTDRD1
SCHEMBL17801391 0.85 MEN1 (0.43) TERTMEN1KMT2A
SCHEMBL17801436 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL17801404 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL17801418 0.79 TERT (0.31) TERT
SCHEMBL17801416 0.79 TERT (0.31) TERT
SCHEMBL17801546 0.79 DRD2 (0.31) DRD4DRD2

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