SCHEMBL13220106

SCHEMBL13220106

Cc1cc(C2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)ccc1N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
NCF1 P14598 2/20 0.35
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
PTK2B Q14289 1/20 0.33
PRKDC P78527 2/20 0.33
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A3 P47895 2/20 0.32

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
SCHEMBL16275873 0.89 SMN1; SMN2 (0.37) HTTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL24620639 0.82 SMN1; SMN2 (0.42) HTTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL13220110 0.81 HTT (0.40) HTTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL24620629 0.81 SMN1; SMN2 (0.42) HTTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL9056690 0.79 KDM4E (0.44) HTTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL361847 0.79 KDM4E (0.50) HTTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL30284405 0.79 KDM4E (0.50) HTTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL4671088 0.77 HTT (0.35) HTTSMN1; SMN2PRKDC
SCHEMBL4674836 0.77 HTT (0.35) HTTSMN1; SMN2PRKDC
SCHEMBL4673163 0.77 HTT (0.35) HTTSMN1; SMN2PRKDC

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
US-20100214373-A1 AUTHENTICATING A PRODUCT AUTHENTIX, INC. (US) 2010-08-26 US disclosed