SCHEMBL11005869

SCHEMBL11005869

Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3cc[nH]n3)C2SC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.68
▸ PGR P06401 3/20 0.68
▸ PPARG P37231 2/20 0.59
▸ SLC22A6 Q4U2R8 2/20 0.59
▸ SLC22A8 Q8TCC7 2/20 0.59
▸ SLC22A11 Q9NSA0 2/20 0.59
▸ POLB P06746 10/20 0.59
▸ MAPT P10636 9/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ CTDSP1 Q9GZU7 2/20 0.59
▸ TDP1 Q9NUW8 11/20 0.56
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ DAO P14920 1/20 0.53
▸ SNCA P37840 1/20 0.53
▸ CYP2J2 P51589 1/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ HSD17B10 Q99714 3/20 0.52
▸ APEX1 P27695 2/20 0.52
▸ KDM4E B2RXH2 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
SCHEMBL10939443 0.89 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10939435 0.89 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11004976 0.88 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11004971 0.88 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11040788 0.86 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11040786 0.86 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11010981 0.86 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11010966 0.86 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9659942 0.85 NR1I2 (0.61) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9659935 0.85 NR1I2 (0.61) NR1I2PGRPPARGSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503221-A PYRAZOLYL OXIME AMIDE SANDOZ LTD. (CH) 1985-03-05 — — US disclosed
US-4440767-A Derivatives of cephalosporanic acid, processes for their production and their use SANDOZ LTD. (CH) 1984-04-03 — — US disclosed
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