SCHEMBL11365301

SCHEMBL11365301

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.55
▸ NR1I2 O75469 6/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ PGR P06401 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPT P10636 5/20 0.52
▸ ALB P02768 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ SLC22A6 Q4U2R8 1/20 0.52
▸ SLC22A8 Q8TCC7 1/20 0.52
▸ SLC22A11 Q9NSA0 1/20 0.52
▸ POLB P06746 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTR2C P28335 1/20 0.51
▸ APEX1 P27695 2/20 0.49
▸ ABCC4 O15439 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL11256876 0.94 NR1I2 (0.60) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL11365397 0.90 MAPT (0.52) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL11365299 0.89 TDP1 (0.68) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL10838359 0.89 TDP1 (0.68) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL10838364 0.89 TDP1 (0.68) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL11371127 0.87 MAPT (0.50) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL11371926 0.84 MAPT (0.54) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL9021538 0.83 MAPT (0.74) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8486403 0.83 MAPT (0.74) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL8486400 0.83 MAPT (0.74) TDP1NR1I2HSD17B10PGRALDH1A1

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 disclosed
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