SCHEMBL28049790

SCHEMBL28049790

O=S(=O)(O)c1ccc(OCCCCBr)cc1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.45
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 7/20 0.45
CA7 P43166 2/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
GAA P10253 1/20 0.43
CA4 P22748 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
BRCA1 P38398 1/20 0.42

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
Hydrochloric Acid SCHEMBL9429571 0.91 CA12 (0.46) CA12CA1CA2CA9CA7
SCHEMBL19874502 0.89 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL19874539 0.89 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL18087455 0.87 CA12 (0.52) CA12CA1CA2CA9CA7
SCHEMBL19887236 0.87 CA12 (0.52) CA12CA1CA2CA9CA7
SCHEMBL18624978 0.85 CA12 (0.53) CA12CA1CA2CA9CA7
SCHEMBL12743793 0.83 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL4610833 0.83 ALDH1A1 (0.49) CA12CA1CA2CA9CA7
SCHEMBL7368029 0.82 CA12 (0.66) CA12CA1CA2CA9CA7
SCHEMBL8570746 0.81 TSHR (0.60) CA12CA1CA2CA9CA7

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-105199124-B A kind of quaternized polyphenylene oxide anion-exchange membrane of side long chain type and preparation method thereof 南阳师范学院 2017-12-19 CN disclosed
CN-105199124-A Side-long-chain quaternization polyphenyl ether anion exchange membrane and preparation method thereof UNIV NANYANG NORMAL 2015-12-30 CN disclosed