SCHEMBL30757516

SCHEMBL30757516

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
PDE5A O76074 1/20 0.31
EDNRA P25101 1/20 0.30
AGTR1 P30556 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL26688799 1.00 MAPT (0.33) MAPTTP53RXFP1PDE5AEDNRA
SCHEMBL26688914 0.93 MAPT (0.33) MAPTTP53RXFP1PDE5AALDH1A1
SCHEMBL30757411 0.93 MAPT (0.33) MAPTTP53RXFP1PDE5AALDH1A1
SCHEMBL30757348 0.92 MAPT (0.33) MAPTTP53RXFP1PDE5AALDH1A1
SCHEMBL26688793 0.92 MAPT (0.33) MAPTTP53RXFP1PDE5AALDH1A1
SCHEMBL5534772 0.87 EDNRA (0.35) MAPTTP53EDNRAAGTR1
SCHEMBL5528962 0.87 GAA (0.32) MAPTEDNRAAGTR1ALDH1A1
SCHEMBL5530422 0.86 EDNRA (0.38) EDNRAAGTR1
SCHEMBL30757386 0.85 TSHR (0.34) MAPTEDNRAALDH1A1POLB
SCHEMBL26688901 0.85 TSHR (0.34) MAPTEDNRAALDH1A1POLB

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