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Lithium Ion

Lithium Ion

SCHEMBL15058448

CN1CCN(Cc2ccccc2C(=O)[O-])CC1.[Li+]

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. 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
▸ HDAC3 O15379 4/20 0.54
▸ HDAC4 P56524 4/20 0.54
▸ HDAC1 Q13547 4/20 0.54
▸ HDAC7 Q8WUI4 4/20 0.54
▸ HDAC2 Q92769 4/20 0.54
▸ HDAC10 Q969S8 4/20 0.54
▸ HDAC11 Q96DB2 4/20 0.54
▸ HDAC8 Q9BY41 4/20 0.54
▸ HDAC6 Q9UBN7 4/20 0.54
▸ HDAC9 Q9UKV0 4/20 0.54
▸ HDAC5 Q9UQL6 4/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CHRNA7 P36544 1/20 0.48
▸ MC4R P32245 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MPO P05164 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL1482081 0.84 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3454127 0.84 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL17338492 0.83 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15058449 0.83 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4878350 0.83 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL30279971 0.83 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28090785 0.83 HDAC6 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6585398 0.81 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11819060 0.81 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11019328 0.79 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024243345-A2 RECHARGEABLE COMPOSITE ELECTRODES AND METHODS THEREOF UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2024-11-28 — — WO claimed
WO-2024243345-A2 RECHARGEABLE COMPOSITE ELECTRODES AND METHODS THEREOF UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2024-11-28 — — WO disclosed
EP-2794608-B1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2016-09-14 — — EP disclosed
CN-104039789-B Four azepines-cyclopenta [a] indenyl and the purposes as forward allosteric modulators thereof 默克专利股份有限公司 2016-09-07 — — CN disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 — — US disclosed
EP-2794608-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS Merck Patent GmbH (DE) 2014-10-29 — — EP disclosed
CN-104039789-A Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators MERCK PATENT GMBH 2014-09-10 — — CN disclosed
EP-2674434-A1 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2013-12-18 — — EP disclosed
WO-2013091773-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2013-06-27 — — WO disclosed