SCHEMBL10937625

SCHEMBL10937625

CC(C)(C)OC(=O)CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3ccc4nncn4n3)C[S+]([O-])[C@@H]12)c1cscn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.34
▸ PGR P06401 2/20 0.34
▸ HTR2C P28335 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ SLC22A6 Q4U2R8 2/20 0.32
▸ SLC22A8 Q8TCC7 2/20 0.32
▸ SLC22A11 Q9NSA0 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ CYP2J2 P51589 1/20 0.32
▸ ABCC4 O15439 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ APAF1 O14727 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ PLCG1 P19174 1/20 0.31

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
SCHEMBL10937616 1.00 NR1I2 (0.34) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10939603 0.92 — —
SCHEMBL10939606 0.92 — —
SCHEMBL10935690 0.88 NR1I2 (0.46) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10935698 0.88 NR1I2 (0.46) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10939074 0.83 NR1I2 (0.37) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10939072 0.83 NR1I2 (0.37) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10936471 0.82 NR1I2 (0.38) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10936482 0.82 NR1I2 (0.38) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10939916 0.80 — —

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
US-4499088-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-02-12 — — US disclosed
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