SCHEMBL28523324

SCHEMBL28523324

Cc1ccccc1N(C)S(=O)(=O)CS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ESR1 P03372 1/20 0.37
LMNA P02545 4/20 0.36
CYP3A4 P08684 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TP53 P04637 1/20 0.36
TEAD1 P28347 1/20 0.36
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
THRB P10828 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL9822762 0.80 C5AR1 (0.44) C5AR1ALDH1A1ESR1LMNACYP3A4
SCHEMBL28582008 0.78 C5AR1 (0.43) C5AR1ALDH1A1ESR1LMNACYP3A4
SCHEMBL2760284 0.74 KMT2A (0.51) C5AR1ALDH1A1PER2CRY1CRY2
Sulfuric Acid SCHEMBL28036340 0.74 ALDH1A1 (0.47) C5AR1ALDH1A1ESR1LMNACYP3A4
SCHEMBL28523204 0.70 C5AR1 (0.37) C5AR1ALDH1A1ESR1LMNATEAD1
SCHEMBL28523427 0.70 ALDH1A1 (0.39) C5AR1ALDH1A1ESR1LMNATEAD1
SCHEMBL3282864 0.70 ALDH1A1 (0.40) C5AR1ALDH1A1ESR1LMNACYP3A4
SCHEMBL13649261 0.69 C5AR1 (0.65) C5AR1LMNATEAD1KMT2AMEN1
Sulfuric Acid SCHEMBL30348917 0.68 LMNA (0.41) C5AR1ALDH1A1ESR1LMNACYP3A4
SCHEMBL6249561 0.68 ESR1 (0.41) C5AR1ALDH1A1ESR1LMNACYP3A4

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
CN-108352572-B Additive for nonaqueous electrolyte solution, and electricity storage device 住友精化株式会社 2021-02-02 CN disclosed