Bicarbonate

Bicarbonate

SCHEMBL6977567

N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N(CCOC3CCCCO3)C3CCCC3)cc12.O=C(O)O

nearest known ligand 0.41

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 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 11/20 0.41
PLG P00747 3/20 0.41
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
PLAT P00750 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
SLC6A9 P48067 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
SPPL2A Q8TCT8 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL6436546 0.86 PLAU (0.51) PLAUPLGKMT2APLATMEN1
SCHEMBL6439004 0.83 PLAU (0.46) PLAUPLGPLATKDM4C
SCHEMBL6433372 0.81 PLAU (0.44) PLAUPLGALDH1A1PLAT
SCHEMBL6437774 0.74 PLAU (0.72) PLAUPLGPLAT
Hydrochloric Acid SCHEMBL6438812 0.73 PLAU (0.71) PLAUPLGPLAT
SCHEMBL7386231 0.73 PLAU (0.53) PLAUPLGKMT2APLATMEN1
Hydrochloric Acid SCHEMBL6433490 0.73 PLAU (0.70) PLAUPLGMAPK1PLAT
Bicarbonate SCHEMBL6969353 0.72 PLAU (0.63) PLAUPLGMAPK1ALDH1A1PLAT
Hydrochloric Acid SCHEMBL6435316 0.72 PLAU (0.56) PLAUPLGPLAT
Bicarbonate SCHEMBL6964761 0.71 PLAU (0.64) PLAUPLGMAPK1ALDH1A1PLAT

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-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP claimed