SCHEMBL13380458

SCHEMBL13380458

CCNC1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
GFER P55789 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 3/20 0.54
RAD52 P43351 1/20 0.54
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.50
ADRA2C P18825 1/20 0.50
PTK2B Q14289 1/20 0.50
ESR2 Q92731 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL8725147 0.86 ADRB1 (0.46) MAPTGFERSMN1; SMN2KDM4EGAA
SCHEMBL8725144 0.85 HSP90AA1 (0.40) MAPTGFERSMN1; SMN2KDM4EGAA
SCHEMBL22837858 0.85 HSP90AA1 (0.40) MAPTGFERSMN1; SMN2KDM4EGAA
SCHEMBL5537556 0.85 ME3 (0.52) MAPTGFERSMN1; SMN2KDM4EGAA
SCHEMBL5537549 0.85 SMN1; SMN2 (0.42) MAPTGFERSMN1; SMN2KDM4EGAA
SCHEMBL13798544 0.84 CHRNA7 (0.50) SMN1; SMN2KMT2AL3MBTL1MEN1POLB
SCHEMBL5535481 0.83 HSP90AA1 (0.41) MAPTGFERSMN1; SMN2KDM4EGAA
Benzene SCHEMBL27474247 0.82 ME3 (0.57) MAPTGFERSMN1; SMN2KDM4EGAA
SCHEMBL8729299 0.82 SMN1; SMN2 (0.40) MAPTGFERSMN1; SMN2KDM4EGAA
SCHEMBL6223263 0.82 GAA (0.47) MAPTGFERSMN1; SMN2KDM4EGAA

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-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed