SCHEMBL25599533

SCHEMBL25599533

C[N+](C)(C)CCCOc1cccc2c1C(=O)c1c(OCCC[N+](C)(C)C)cccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
ELANE P08246 7/20 0.48
TERT O14746 1/20 0.45
TTR P02766 1/20 0.42
EGFR P00533 1/20 0.42
PIM1 P11309 1/20 0.42
CTSG P08311 1/20 0.41

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
SCHEMBL9017760 0.82 ELANE (0.67) KCNA3ELANETTREGFRPIM1
SCHEMBL10058149 0.81 KCNA3 (0.50) KCNA3ELANETERTTTREGFR
SCHEMBL29912844 0.79 KCNA3 (0.60) KCNA3ELANETTREGFRPIM1
SCHEMBL12332436 0.77 KCNA3 (0.58) KCNA3ELANETTREGFRPIM1
SCHEMBL16076555 0.77 KCNA3 (0.62) KCNA3ELANETTREGFRPIM1
SCHEMBL28986871 0.76 KCNA3 (0.70) KCNA3ELANETTREGFRCTSG
SCHEMBL25937321 0.75 THRB (0.44) KCNA3TERTPIM1
SCHEMBL25937319 0.75 PIM1 (0.39) TERTEGFRPIM1
SCHEMBL28050007 0.75 KCNA3 (0.59) KCNA3ELANETTREGFRPIM1
SCHEMBL918577 0.74 KCNA3 (0.63) KCNA3ELANETTREGFRPIM1

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
US-11677091-B2 Use of quaternary ammonium salt-type anthraquinone-based active material and salt cavern organic aqueous redox flow battery CHINA SALT JINTAN CO., LTD. (CN) 2023-06-13 US disclosed