SCHEMBL17655014

SCHEMBL17655014

CC(C)C(C(=O)C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 6/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
BCL2L1 Q07817 1/20 0.65
MCL1 Q07820 1/20 0.65
BAK1 Q16611 1/20 0.65
MAPT P10636 6/20 0.61
POLB P06746 4/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
ADAMTS5 Q9UNA0 2/20 0.57
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CISD1 Q9NZ45 3/20 0.56
MAOA P21397 2/20 0.56
MAOB P27338 1/20 0.56
PKM P14618 1/20 0.54
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54

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
SCHEMBL17655010 0.90 ADAMTS5 (0.59) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL5970105 0.90 BCL2 (0.80) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL5970104 0.90 BCL2 (0.80) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL13219035 0.89 BCL2 (0.67) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL17655016 0.87 BCL2 (0.62) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL17655011 0.86 MEN1 (0.53) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL17655013 0.85 BCL2 (0.60) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL17655012 0.84 ADAMTS5 (0.61) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL17655015 0.83 MEN1 (0.55) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL13657863 0.83 BCL2 (0.77) BCL2MEN1KMT2ABCL2L1MCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9301940-B2 Methods for screening antimicrobial and antiviral compounds and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2016-04-05 US disclosed
US-9301940-B2 Methods for screening antimicrobial and antiviral compounds and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2016-04-05 US disclosed