SCHEMBL13982547

SCHEMBL13982547

Bc1ccc(/C=C2\SC(=S)N(C(C(=O)O)C(C)C)C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 8/20 0.80
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
BCL2L1 Q07817 1/20 0.80
MCL1 Q07820 1/20 0.80
BAK1 Q16611 1/20 0.80
MAPT P10636 7/20 0.65
ADAMTS5 Q9UNA0 2/20 0.62
POLB P06746 4/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
BCL2L2 Q92843 5/20 0.58
PLA2G1B P04054 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
CYP3A4 P08684 1/20 0.54
THRB P10828 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
SCHEMBL13812532 0.90 BCL2 (0.80) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL5970104 0.90 BCL2 (0.80) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL5970105 0.90 BCL2 (0.80) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL158041 0.89 BCL2 (1.00) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL4264548 0.89 BCL2 (1.00) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL14163443 0.89 KMT2A (0.78) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL158040 0.89 BCL2 (1.00) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL13657863 0.88 BCL2 (0.77) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL3426372 0.83 BCL2 (0.76) BCL2MEN1KMT2ABCL2L1MCL1
SCHEMBL3426376 0.83 BCL2 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008157003-A2 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2008-12-24 WO disclosed