SCHEMBL30173483

SCHEMBL30173483

COc1cccc(CN2C(=O)SC(=Cc3ccc([N+](=O)[O-])cc3)C2=O)c1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.67
▸ MAPK1 P28482 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ CRHBP P24387 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ CRHR2 Q13324 1/20 0.63
▸ NOD2 Q9HC29 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ PKM P14618 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL30173484 0.91 MAPK1 (0.70) PPARGMAPK1MEN1ALDH1A1POLB
SCHEMBL30173481 0.86 PPARG (0.73) PPARG
SCHEMBL6692200 0.80 PPARG (0.68) PPARGMAPK1MEN1ALDH1A1POLB
SCHEMBL6692202 0.80 PPARG (0.68) PPARGMAPK1MEN1ALDH1A1POLB
SCHEMBL15816886 0.80 PPARG (0.60) PPARGMAPK1
SCHEMBL15816888 0.80 PPARG (0.60) PPARGMAPK1
SCHEMBL15816884 0.80 PPARG (0.60) PPARGMAPK1
SCHEMBL12177160 0.80 PPARG (0.70) PPARGNPSR1
SCHEMBL5470020 0.79 MAPK1 (0.85) MAPK1MEN1ALDH1A1POLBMAPT
SCHEMBL5470014 0.79 MAPK1 (0.85) MAPK1MEN1ALDH1A1POLBMAPT

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-4142795-A1 PPAR? AGONISTS FOR TREATMENT OF KIDNEY DISEASE The Research Institute at Nationwide Children's Hospital (US) 2023-03-08 — — EP disclosed
Send feedback