SCHEMBL21490690

SCHEMBL21490690

C[Si](C)(C)c1cccnc1.O=S(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
APP P05067 1/20 0.38
GAA P10253 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SIRT4 Q9Y6E7 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL29505165 0.91 CYP2A6 (0.48) CYP2A6ALDH1A1CYP3A4CYP1A2APP
SCHEMBL2180224 0.91 CYP2A6 (0.48) CYP2A6ALDH1A1CYP3A4CYP1A2APP
SCHEMBL10479554 0.73 CYP2A6 (0.44) CYP2A6ALDH1A1CYP3A4CYP1A2APP
SCHEMBL10479669 0.73 CYP2A6 (0.44) CYP2A6ALDH1A1CYP3A4CYP1A2APP
SCHEMBL21490462 0.72 LMNA (0.36) ALDH1A1CYP3A4NAPRTLMNATP53
SCHEMBL10479743 0.71 ALDH1A1 (0.42) CYP2A6ALDH1A1CYP3A4CYP1A2APP
SCHEMBL9138633 0.71 ESR1 (0.50) CYP2A6ALDH1A1CYP3A4CYP1A2APP
SCHEMBL9137368 0.70 KIF11 (0.41) CYP2A6ALDH1A1CYP3A4CYP1A2HTT
SCHEMBL21490734 0.68 ALDH1A1 (0.44) CYP2A6ALDH1A1CYP3A4CYP1A2APP
SCHEMBL7032434 0.68 CYP2A6 (0.39) CYP2A6ALDH1A1CYP3A4CYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11177505-B2 Pyridine sulfur trioxide complexes as electrolyte component for high voltage batteries BASF SE (DE) 2021-11-16 US disclosed
EP-3566258-B1 PYRIDINE SULFUR TRIOXIDE COMPLEXES AS ELECTROLYTE COMPONENT FOR HIGH VOLTAGE BATTERIES BASF SE (DE) 2020-10-21 EP disclosed
EP-3566258-A1 PYRIDINE SULFUR TRIOXIDE COMPLEXES AS ELECTROLYTE COMPONENT FOR HIGH VOLTAGE BATTERIES BASF SE (DE) 2019-11-13 EP disclosed
US-20190326642-A1 PYRIDINE SULFUR TRIOXIDE COMPLEXES AS ELECTROLYTE COMPONENT FOR HIGH VOLTAGE BATTERIES BASF SE (DE) 2019-10-24 US disclosed
CN-110291673-A The pyridine. sulfur trioxide complex compound of electrolyte components as high-tension battery group 巴斯夫欧洲公司 2019-09-27 CN disclosed