SCHEMBL4977113

SCHEMBL4977113

O=C(O)COCC(=O)NC(=S)NC(=O)COCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 7/20 0.33
MAPT P10636 5/20 0.33
POLB P06746 3/20 0.33
KMT2A Q03164 2/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
THRB P10828 1/20 0.32
APOBEC3G Q9HC16 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL4478714 0.90 ALDH1A1 (0.33) TSHRALDH1A1MAPTPOLBKMT2A
SCHEMBL4479756 0.84 TAS2R38 (0.39) TSHRALDH1A1POLBKMT2ACTH
SCHEMBL4977502 0.81 TSHR (0.37) TSHRALDH1A1MAPTPOLBKMT2A
SCHEMBL4978322 0.77 TSHR (0.35) TSHRALDH1A1POLBKMT2ACTH
SCHEMBL4472825 0.77 TSHR (0.39) TSHRALDH1A1POLBKMT2ACTH
SCHEMBL4488898 0.76 KDM4E (0.34) TSHRALDH1A1POLBKMT2ACTH
SCHEMBL4467707 0.74 TSHR (0.36) TSHRALDH1A1POLBKMT2ACTH
SCHEMBL26928 0.74
SCHEMBL11406963 0.73 FOLH1 (0.46) TSHRPOLBCTHCBSTHPO
SCHEMBL4472021 0.72 TSHR (0.33) TSHRALDH1A1POLBKMT2ACTH

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
EP-1685114-B1 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS SA (BR) 2008-10-15 EP claimed