SCHEMBL28582008

SCHEMBL28582008

Cc1ccccc1N(C)S(=O)(=O)O.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
ALDH1A1 P00352 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 5/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 3/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TEAD1 P28347 1/20 0.36
TSHR P16473 1/20 0.36
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35

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 0.98 C5AR1 (0.44) C5AR1ALDH1A1SIGMAR1LMNAMAPT
SCHEMBL27524532 0.82 C5AR1 (0.42) C5AR1ALDH1A1LMNAMAPTKMT2A
SCHEMBL3282864 0.79 ALDH1A1 (0.40) C5AR1ALDH1A1SIGMAR1LMNAMAPT
SCHEMBL2760284 0.79 KMT2A (0.51) C5AR1ALDH1A1POLBKMT2AMEN1
Sulfuric Acid SCHEMBL28036340 0.79 ALDH1A1 (0.47) C5AR1ALDH1A1SIGMAR1LMNAMAPT
SCHEMBL28523324 0.78 C5AR1 (0.39) C5AR1ALDH1A1SIGMAR1LMNAMAPT
SCHEMBL6249561 0.78 ESR1 (0.41) C5AR1ALDH1A1SIGMAR1LMNAESR1
SCHEMBL11871679 0.76 PER2 (0.38) C5AR1ALDH1A1SIGMAR1LMNAMAPT
SCHEMBL28523427 0.75 ALDH1A1 (0.39) C5AR1ALDH1A1SIGMAR1LMNAMAPT
SCHEMBL28523204 0.75 C5AR1 (0.37) C5AR1ALDH1A1SIGMAR1LMNAMAPT

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-108212030-B Aluminum sol and preparation method thereof 广东邦普循环科技有限公司 2021-02-19 CN disclosed