SCHEMBL13699398

SCHEMBL13699398

NCc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.73
CCND1 P24385 3/20 0.73
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
SNCA P37840 4/20 0.63
SIRT1 Q96EB6 3/20 0.63
ACHE P22303 3/20 0.61
BCHE P06276 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL28045725 0.86 SNCA (0.62) SNCA
SCHEMBL4331421 0.84 MEN1 (1.00) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL28045722 0.84 CDK4 (0.77) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL14198238 0.84 CDK4 (0.77) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL5806563 0.83 MEN1 (0.67) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL5803804 0.82 CDK4 (0.64) CDK4CCND1MEN1KMT2ANPC1
Cyanide SCHEMBL31484737 0.81 MEN1 (0.92) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL7866515 0.80 MEN1 (0.73) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL797879 0.80 MEN1 (0.76) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL14303574 0.80 MEN1 (0.90) CDK4CCND1MEN1KMT2ANPC1

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
EP-2103602-A1 Novel 1,2,4-triazole derivatives and process of manufacturing thereof AEterna Zentaris GmbH (DE) 2009-09-23 EP disclosed