SCHEMBL10935690

SCHEMBL10935690

CC(C)(C)OC(=O)CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3ccc4nncn4n3)CS[C@H]12)c1cscn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.46
▸ PGR P06401 3/20 0.46
▸ HTR2C P28335 1/20 0.44
▸ SLC22A6 Q4U2R8 3/20 0.43
▸ SLC22A8 Q8TCC7 3/20 0.43
▸ SLC22A11 Q9NSA0 3/20 0.43
▸ PPARG P37231 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ SNCA P37840 1/20 0.43
▸ CYP2J2 P51589 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ TDP1 Q9NUW8 4/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ LMNA P02545 2/20 0.40

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
SCHEMBL10935698 1.00 NR1I2 (0.46) NR1I2PGRHTR2CSLC22A6SLC22A8
SCHEMBL10939621 0.92 TDP1 (0.47) NR1I2PGRHTR2CSLC22A6SLC22A8
SCHEMBL10939630 0.92 TDP1 (0.47) NR1I2PGRHTR2CSLC22A6SLC22A8
SCHEMBL10936875 0.91 NR1I2 (0.38) NR1I2PGRHTR2CSLC22A6SLC22A8
SCHEMBL10936869 0.91 NR1I2 (0.38) NR1I2PGRHTR2CSLC22A6SLC22A8
SCHEMBL10935180 0.91 NR1I2 (0.51) NR1I2PGRHTR2CSLC22A6SLC22A8
SCHEMBL10935197 0.91 NR1I2 (0.51) NR1I2PGRHTR2CSLC22A6SLC22A8
SCHEMBL10937625 0.88 NR1I2 (0.34) NR1I2PGRHTR2CSLC22A6SLC22A8
SCHEMBL10937616 0.88 NR1I2 (0.34) NR1I2PGRHTR2CSLC22A6SLC22A8
SCHEMBL10939823 0.88 NR1I2 (0.48) NR1I2PGRHTR2CSLC22A6SLC22A8

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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