SCHEMBL9388441

SCHEMBL9388441

CCN(OS(=O)(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
ESR1 P03372 4/20 0.42
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR3C2 P08235 1/20 0.39
MEN1 O00255 2/20 0.39
HSP90AA1 P07900 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL10867464 0.76 ESR1 (0.38) ALDH1A1ESR1KMT2A
SCHEMBL10914265 0.74 ALDH1A1 (0.41) TSHRALDH1A1ESR1NR3C2HSP90AA1
SCHEMBL9541750 0.74 ALDH1A1 (0.41) TSHRALDH1A1ESR1NR3C2HSP90AA1
SCHEMBL9661401 0.73 S100B (0.53) TSHRALDH1A1ESR1KMT2AMAPK1
Diethylaniline SCHEMBL9487131 0.72 ALDH1A1 (0.56) TSHRALDH1A1GLAESR1KMT2A
SCHEMBL1257089 0.71 TSHR (0.43) TSHRALDH1A1GLAESR1KMT2A
SCHEMBL5892163 0.71 ESR1 (0.59) TSHRALDH1A1GLAESR1KMT2A
Sulfuric Acid SCHEMBL8646873 0.71 TSHR (0.48) TSHRALDH1A1GLAESR1KMT2A
Diethylaniline SCHEMBL27592326 0.71 ALDH1A1 (0.55) TSHRALDH1A1GLAESR1KMT2A
SCHEMBL6017430 0.71 ESR1 (0.59) TSHRALDH1A1GLAESR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP claimed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US claimed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP claimed
CN-113841280-B Electrolyte composition, solvent composition, nonaqueous electrolyte solution, and use thereof 株式会社日本触媒 2024-08-09 CN disclosed
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP disclosed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US disclosed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP disclosed