SCHEMBL4702857

SCHEMBL4702857

C=CCSCC1=CC(C)(C)Nc2c1cccc2-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.48
▸ NR3C1 P04150 8/20 0.47
▸ ALDH1A1 P00352 3/20 0.35
▸ GFER P55789 2/20 0.35
▸ RPS6KA5 O75582 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ MET P08581 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ MAPK3 P27361 1/20 0.32
▸ AKT1 P31749 1/20 0.32

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
SCHEMBL4705725 0.82 PGR (0.53) PGRNR3C1ALDH1A1TDP1MEN1
SCHEMBL4703462 0.81 PGR (0.67) PGRNR3C1
SCHEMBL4704512 0.76 PGR (0.47) PGRNR3C1MEN1KMT2A
SCHEMBL4703420 0.75 NR3C1 (0.62) PGRNR3C1
SCHEMBL4704783 0.71 NR3C1 (0.60) PGRNR3C1ALDH1A1FGFR1FGFR3
SCHEMBL4704555 0.64 NR3C1 (0.51) PGRNR3C1ALDH1A1
SCHEMBL4703771 0.63 NR3C1 (0.50) PGRNR3C1ALDH1A1
SCHEMBL4706288 0.62 NR3C1 (0.48) PGRNR3C1ALDH1A1TDP1LMNA
SCHEMBL30535903 0.61 ALDH1A1 (0.74) ALDH1A1TDP1MEN1KMT2A
SCHEMBL1287837 0.61 ALDH1A1 (0.74) ALDH1A1TDP1MEN1KMT2A

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-1532113-B1 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2008-08-06 — — EP claimed
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