SCHEMBL17655010

SCHEMBL17655010

CC(C)C(C(=O)C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.59
MEN1 O00255 11/20 0.57
KMT2A Q03164 11/20 0.57
BCL2 P10415 4/20 0.57
BCL2L1 Q07817 1/20 0.57
MCL1 Q07820 1/20 0.57
BAK1 Q16611 1/20 0.57
ATM Q13315 2/20 0.53
MAPT P10636 8/20 0.52
POLB P06746 4/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
BCL2L2 Q92843 1/20 0.49
MAPK1 P28482 2/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PSMD14 O00487 1/20 0.48
NSD2 O96028 1/20 0.48

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
SCHEMBL17655014 0.90 BCL2 (0.65) ADAMTS5MEN1KMT2ABCL2BCL2L1
SCHEMBL15709086 0.84 MEN1 (0.60) ADAMTS5MEN1KMT2ABCL2BCL2L1
SCHEMBL15709085 0.84 MEN1 (0.60) ADAMTS5MEN1KMT2ABCL2BCL2L1
SCHEMBL17655012 0.83 ADAMTS5 (0.61) ADAMTS5MEN1KMT2ABCL2BCL2L1
SCHEMBL17655015 0.83 MEN1 (0.55) ADAMTS5MEN1KMT2ABCL2BCL2L1
SCHEMBL15731851 0.81 MEN1 (0.56) ADAMTS5MEN1KMT2AATMMAPT
SCHEMBL17655016 0.81 BCL2 (0.62) ADAMTS5MEN1KMT2ABCL2BCL2L1
SCHEMBL5970104 0.81 BCL2 (0.80) ADAMTS5MEN1KMT2ABCL2BCL2L1
SCHEMBL5970105 0.81 BCL2 (0.80) ADAMTS5MEN1KMT2ABCL2BCL2L1
SCHEMBL13219035 0.79 BCL2 (0.67) ADAMTS5MEN1KMT2ABCL2BCL2L1

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