SCHEMBL30757337

SCHEMBL30757337

COCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CBr)cc1COCc1ccc(OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.36
AGTR1 P30556 1/20 0.36
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EDNRB P24530 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL26688940 1.00 EDNRA (0.36) EDNRAAGTR1POLBHSD17B10ALDH1A1
SCHEMBL26688792 0.92 EDNRA (0.36) EDNRAAGTR1POLBHSD17B10MAPT
SCHEMBL30757292 0.92 EDNRA (0.36) EDNRAAGTR1POLBHSD17B10MAPT
SCHEMBL534996 0.90 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL30757507 0.89 NPC1 (0.36) EDNRAAGTR1POLBHSD17B10ALDH1A1
SCHEMBL26688997 0.89 NPC1 (0.36) EDNRAAGTR1POLBHSD17B10ALDH1A1
SCHEMBL5534772 0.88 EDNRA (0.35) EDNRAAGTR1MAPTEDNRB
SCHEMBL5530422 0.85 EDNRA (0.38) EDNRAAGTR1
SCHEMBL5531210 0.84 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL30171097 0.84 EDNRA (0.41) EDNRAAGTR1EDNRB

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