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Bicarbonate

Bicarbonate

SCHEMBL2109328

CC(C)(C)N(C(=O)O)c1ccccc1NC(=O)c1ccc(C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1.O=C(O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.60
▸ HDAC3 O15379 5/20 0.60
▸ HDAC2 Q92769 5/20 0.60
▸ NCOR2 Q9Y618 4/20 0.42

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
SCHEMBL2107774 0.99 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2109329 0.88 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2
SCHEMBL247987 0.82 CACNA1B (0.57) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2107514 0.81 HDAC1 (0.65) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2108610 0.79 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2109325 0.78 HDAC1 (0.47) HDAC1HDAC3HDAC2
SCHEMBL2108547 0.77 HDAC1 (0.76) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2107673 0.77 NPC1 (0.42) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1753682 0.76 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2
SCHEMBL20657015 0.76 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2

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-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed