SCHEMBL30171015

SCHEMBL30171015

COCCOCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.37
EDNRB P24530 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
TDP1 Q9NUW8 3/20 0.33
KMT2A Q03164 3/20 0.33
C1R P00736 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
BRD4 O60885 1/20 0.31
PLCG1 P19174 1/20 0.31
MEN1 O00255 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
TSHR P16473 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
SCHEMBL6640127 1.00 EDNRA (0.37) EDNRAEDNRBL3MBTL1TDP1KMT2A
SCHEMBL6694770 0.90 EDNRA (0.40) EDNRAEDNRBL3MBTL1TDP1KMT2A
SCHEMBL29799735 0.90 EDNRA (0.40) EDNRAEDNRBL3MBTL1TDP1KMT2A
SCHEMBL5525532 0.89 EDNRA (0.37) EDNRAEDNRBL3MBTL1TDP1KMT2A
SCHEMBL29001508 0.88 EDNRB (0.31) EDNRAEDNRBBRD4
SCHEMBL30171191 0.88 EDNRB (0.31) EDNRAEDNRBBRD4
SCHEMBL535004 0.85 GAA (0.33) KMT2ATP53MAPTGAAALDH1A1
SCHEMBL6640093 0.83 EDNRA (0.44) EDNRAEDNRBL3MBTL1TDP1KMT2A
SCHEMBL4773572 0.83 EDNRB (0.35) EDNRAEDNRBTP53MAPT
SCHEMBL4773487 0.81 EDNRB (0.35) EDNRAEDNRBTP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462631-A Sebasteine Synthesis method of intermediate 广东莱佛士制药技术有限公司 2025-02-18 CN disclosed
CN-115745983-A Angiotensin and endothelin receptor antagonist and application thereof 深圳信立泰药业股份有限公司 2023-03-07 CN disclosed