SCHEMBL17801445

SCHEMBL17801445

CCN(C)C=Nc1cc2cccc(Oc3ccccc3)c2nc1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 3/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
P2RX3 P56373 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MIF P14174 1/20 0.30
KCNH2 Q12809 1/20 0.30
EGLN1 Q9GZT9 2/20 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
SCHEMBL17801443 1.00 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6SMN1; SMN2
SCHEMBL17801436 0.79 ALDH1A1 (0.35)
SCHEMBL17801404 0.79 ALDH1A1 (0.35)
SCHEMBL17801565 0.79 L3MBTL1 (0.33) L3MBTL1
SCHEMBL17801563 0.79 L3MBTL1 (0.33) L3MBTL1
SCHEMBL17801442 0.78 ATP4A (0.36) P2RX3L3MBTL1KCNH2
SCHEMBL17801440 0.78 ATP4A (0.36) P2RX3L3MBTL1KCNH2
SCHEMBL2685505 0.77 SMN1; SMN2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6SMN1; SMN2
SCHEMBL15649015 0.77 SMN1; SMN2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6SMN1; SMN2
SCHEMBL2685504 0.77 SMN1; SMN2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6SMN1; SMN2

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