SCHEMBL8310453

SCHEMBL8310453

CC(=C1SC(=S)NC1=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
PIM1 P11309 4/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
PSMD14 O00487 1/20 0.45
NSD2 O96028 1/20 0.45
POLB P06746 1/20 0.45
MMP2 P08253 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL8310452 1.00 MEN1 (0.49) MEN1KMT2APIM1RAB9ASMN1; SMN2
SCHEMBL12891824 0.86 CES2 (0.42) MEN1KMT2APIM1RAB9ASMN1; SMN2
SCHEMBL1248986 0.86 CES2 (0.42) MEN1KMT2APIM1RAB9ASMN1; SMN2
SCHEMBL1248987 0.86 CES2 (0.42) MEN1KMT2APIM1RAB9ASMN1; SMN2
SCHEMBL8171891 0.82 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12961165 0.82 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8307760 0.82 NAT1 (0.50) MEN1KMT2APIM1RAB9ASMN1; SMN2
SCHEMBL1449167 0.82 NAT1 (0.50) MEN1KMT2APIM1RAB9ASMN1; SMN2
SCHEMBL8311447 0.79 MMP3 (0.53) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL8311449 0.79 MMP3 (0.53) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915090-A1 Compounds useful as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1999-05-12 EP disclosed
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
CN-1091006-A Chemical compound as blood sugar lowering and treatment degenerative brain disorder LILLY CO ELI (US) 1994-08-24 CN disclosed
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed