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Bicarbonate

Bicarbonate

SCHEMBL15310366

COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C2CCCCC2)c1.O=C(O)O

nearest known ligand 0.86

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
▸ CCR4 P51679 20/20 0.86
▸ CCR5 P51681 1/20 0.73
▸ FFAR4 Q5NUL3 1/20 0.73
▸ SLCO1B1 Q9Y6L6 1/20 0.73

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
SCHEMBL204662 0.94 CCR4 (0.88) CCR4CCR5FFAR4SLCO1B1
SCHEMBL204661 0.94 CCR4 (0.88) CCR4CCR5FFAR4SLCO1B1
SCHEMBL359216 0.92 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357722 0.90 CCR4 (0.92) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10235079 0.89 CCR4 (0.81) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10278771 0.89 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10278777 0.89 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10278779 0.88 CCR4 (0.92) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10278963 0.88 CCR4 (0.92) CCR4CCR5FFAR4SLCO1B1
SCHEMBL359170 0.88 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1

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
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 — — EP claimed