SCHEMBL7700244

SCHEMBL7700244

O=C1NC(=S)SC1=Cc1ccc(OCCOc2ccc(C(=O)O)cc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.60
IL1RN P18510 1/20 0.60
ERAP1 Q9NZ08 1/20 0.60
CISD1 Q9NZ45 3/20 0.58
PTGS2 P35354 3/20 0.57
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
NOD2 Q9HC29 1/20 0.56
CTSD P07339 2/20 0.56
GSK3B P49841 2/20 0.55
MMP3 P08254 2/20 0.53
MMP13 P45452 2/20 0.53
HPGD P15428 4/20 0.52
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL7700243 1.00 MYC (0.60) MYCIL1RNERAP1CISD1PTGS2
SCHEMBL7696597 0.92 CISD1 (0.68) CISD1PTGS2HPGD
SCHEMBL7696596 0.92 CISD1 (0.68) CISD1PTGS2HPGD
SCHEMBL212734 0.79 GPR35 (0.70) MYCIL1RNERAP1CISD1PTGS2
SCHEMBL212733 0.79 GPR35 (0.70) MYCIL1RNERAP1CISD1PTGS2
SCHEMBL212735 0.79 GPR35 (0.70) MYCIL1RNERAP1CISD1PTGS2
SCHEMBL18102979 0.79 CISD1 (0.66) CISD1MEN1KMT2AHPGDMGAM
SCHEMBL18102973 0.79 CISD1 (0.66) CISD1MEN1KMT2AHPGDMGAM
SCHEMBL18102865 0.78 MMP3 (0.65) MYCIL1RNERAP1PTGS2MEN1
SCHEMBL10050563 0.77 MMP13 (0.74) MYCIL1RNERAP1PTGS2MEN1

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-2002050024-A2 THIAZOLIDINEDIONES SMITHKLINE BEECHAM CORPORATION (US) 2002-06-27 WO claimed