SCHEMBL17801404

SCHEMBL17801404

CCN(C)C=Nc1cc2cccc(Br)c2nc1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PRNP P04156 1/20 0.31

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
SCHEMBL17801436 1.00 ALDH1A1 (0.35) ALDH1A1BACE1MEN1KMT2APRNP
SCHEMBL17801391 0.82 MEN1 (0.43) MEN1KMT2A
SCHEMBL17801390 0.82 MEN1 (0.43) MEN1KMT2A
SCHEMBL17801563 0.80 L3MBTL1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL17801565 0.80 L3MBTL1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL18769001 0.79
SCHEMBL17801443 0.79 SLC6A2 (0.34)
SCHEMBL17801440 0.79 ATP4A (0.36)
SCHEMBL17801442 0.79 ATP4A (0.36)
SCHEMBL17801445 0.79 SLC6A2 (0.34)

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