SCHEMBL31397607

SCHEMBL31397607

Cc1cc[n+](C)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.48
GAA P10253 5/20 0.45
ALDH1A1 P00352 3/20 0.45
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1001154 0.90 TERT (0.55) TERTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL1982598 0.87 TERT (0.49) TERTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL15823402 0.86 ALDH1A1 (0.45) TERTGAAALDH1A1SLC22A2SLC22A1
Toluene SCHEMBL11063542 0.86 SLC22A2 (0.46) TERTGAAALDH1A1SLC22A2SLC22A1
SCHEMBL3770590 0.84 LMNA (0.46) TERTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL372527 0.84 CHAT (0.61) TERTALDH1A1HTTSMN1; SMN2CYP2D6
Paraquat SCHEMBL4086035 0.83 TERT (0.59) TERTGAAALDH1A1SLC22A2SLC22A1
SCHEMBL7050135 0.82 RECQL (0.47) TERTALDH1A1HTTSMN1; SMN2LMNA
Alcohol SCHEMBL27993658 0.82 TERT (0.49) TERTGAAALDH1A1HTTSMN1; SMN2
Toluene SCHEMBL2311942 0.82 LMNA (0.50) GAAALDH1A1HTTSMN1; SMN2LMNA

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-119998964-A Self-poisoning lithium secondary battery 辉能科技股份有限公司 2025-05-13 CN disclosed
CN-119768942-A Self-poisoning lithium secondary battery 辉能科技股份有限公司 2025-04-04 CN disclosed