SCHEMBL30757348

SCHEMBL30757348

CCCOc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE5A O76074 1/20 0.31
LMNA P02545 3/20 0.31
TSHR P16473 3/20 0.31
RECQL P46063 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRIM24 O15164 1/20 0.30
TAF1L Q8IZX4 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30

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
SCHEMBL26688793 1.00 MAPT (0.33) MAPTTP53ALDH1A1POLBRXFP1
SCHEMBL26688799 0.92 MAPT (0.33) MAPTTP53ALDH1A1POLBRXFP1
SCHEMBL30757516 0.92 MAPT (0.33) MAPTTP53ALDH1A1POLBRXFP1
SCHEMBL5521669 0.87 EDNRA (0.36) MAPTTP53
SCHEMBL26688901 0.87 TSHR (0.34) MAPTALDH1A1POLBLMNATSHR
SCHEMBL30757386 0.87 TSHR (0.34) MAPTALDH1A1POLBLMNATSHR
SCHEMBL5529373 0.87 RORC (0.36)
SCHEMBL5530889 0.86 EDNRA (0.38)
SCHEMBL30757411 0.85 MAPT (0.33) MAPTTP53ALDH1A1POLBRXFP1
SCHEMBL26688914 0.85 MAPT (0.33) MAPTTP53ALDH1A1POLBRXFP1

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
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed