Water

Water

SCHEMBL15375319

CCCC[n+]1ccc(C)c(C)c1.[OH-]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Water. 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
▸ CHRNA7 P36544 3/20 0.61
▸ CHRNA10 Q9GZZ6 3/20 0.61
▸ CHRNA9 Q9UGM1 3/20 0.61
▸ HTT P42858 3/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ABCB11 O95342 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ PGR P06401 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
SCHEMBL29482229 0.98 CHRNA7 (0.62) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL562670 0.98 CHRNA7 (0.62) CHRNA7CHRNA10CHRNA9HTTMEN1
Hydrochloric Acid SCHEMBL1533941 0.96 CHRNA7 (0.61) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5294019 0.92 HTT (0.62) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL6115421 0.91 CHRNA7 (0.56) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5301421 0.90 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5296069 0.90 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5286007 0.90 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5283392 0.90 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5296041 0.90 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2662332-B1 MANUFACTURING METHOD FOR FLUORINE-CONTAINING SULFONYL IMIDE SALT NIPPON SODA CO (JP) 2018-03-28 — — EP disclosed
US-9233849-B2 Process for producing fluorine-containing sulfonylimide salt NIPPON SODA CO., LTD. (JP) 2016-01-12 — — US disclosed
US-20130323155-A1 PROCESS FOR PRODUCING FLUORINE-CONTAINING SULFONYLIMIDE SALT NIPPON SODA CO., LTD. (JP) 2013-12-05 — — US disclosed
EP-2662332-A1 MANUFACTURING METHOD FOR FLUORINE-CONTAINING SULFONYL IMIDE SALT Nippon Soda Co., Ltd. (JP) 2013-11-13 — — EP disclosed
Send feedback