SCHEMBL11371127

SCHEMBL11371127

CNC(=O)O/N=C(\C(=O)N[C@@H]1C(=O)N2C(OC(=O)O)=C(COC(C)=O)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ NR1I2 O75469 5/20 0.50
▸ ALB P02768 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ SLC22A6 Q4U2R8 1/20 0.50
▸ SLC22A8 Q8TCC7 1/20 0.50
▸ SLC22A11 Q9NSA0 1/20 0.50
▸ TDP1 Q9NUW8 7/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ APEX1 P27695 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ ABCC4 O15439 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTR2C P28335 1/20 0.42

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
SCHEMBL11365397 0.94 MAPT (0.52) MAPTNR1I2ALBPPARGSLC22A6
SCHEMBL11256876 0.91 NR1I2 (0.60) MAPTNR1I2ALBPPARGSLC22A6
SCHEMBL11260010 0.90 MAPT (0.62) MAPTNR1I2ALBPPARGSLC22A6
SCHEMBL11260008 0.90 MAPT (0.62) MAPTNR1I2ALBPPARGSLC22A6
SCHEMBL11256586 0.87 TDP1 (0.63) MAPTNR1I2ALBPPARGSLC22A6
SCHEMBL11365301 0.87 TDP1 (0.55) MAPTNR1I2ALBPPARGSLC22A6
SCHEMBL11371926 0.83 MAPT (0.54) MAPTNR1I2ALBPPARGSLC22A6
SCHEMBL11365391 0.83 MAPT (0.65) MAPTNR1I2ALBPPARGSLC22A6
SCHEMBL8486403 0.81 MAPT (0.74) MAPTNR1I2ALBPPARGSLC22A6
SCHEMBL9021538 0.81 MAPT (0.74) MAPTNR1I2ALBPPARGSLC22A6

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-0022245-A2 Aminothiadiazolyl derivatives, process for their preparation, pharmaceutical compositions containing them;starting compounds and process for their preparation CIBA-GEIGY AG (CH) 1981-01-14 — — EP claimed
Send feedback