SCHEMBL10935180

SCHEMBL10935180

CC(C)(C)OC(=O)CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3ccc4nnnn4n3)CS[C@H]12)c1cscn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.51
▸ PGR P06401 3/20 0.51
▸ SLC22A6 Q4U2R8 4/20 0.43
▸ SLC22A8 Q8TCC7 4/20 0.43
▸ SLC22A11 Q9NSA0 4/20 0.43
▸ PPARG P37231 3/20 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
▸ HTR2C P28335 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ CTDSP1 Q9GZU7 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL10935197 1.00 NR1I2 (0.51) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10935302 0.92 NR1I2 (0.53) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10935292 0.92 NR1I2 (0.53) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11012047 0.91 NR1I2 (0.64) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11012017 0.91 NR1I2 (0.64) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10935698 0.91 NR1I2 (0.46) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10935690 0.91 NR1I2 (0.46) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11046836 0.90 NR1I2 (0.46) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11046833 0.90 NR1I2 (0.46) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11011077 0.89 NR1I2 (0.53) NR1I2PGRSLC22A6SLC22A8SLC22A11

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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