Bicarbonate

Bicarbonate

SCHEMBL6969353

N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3CCC3)cc12.O=C(O)O

nearest known ligand 0.63

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 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 15/20 0.63
PLG P00747 8/20 0.45
PLAT P00750 3/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 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
Bicarbonate SCHEMBL6964761 0.97 PLAU (0.64) PLAUPLGPLATALDH1A1LMNA
SCHEMBL6437267 0.95 PLAU (0.69) PLAUPLGPLATALDH1A1LMNA
SCHEMBL6433534 0.90 PLAU (0.56) PLAUPLGPLATALDH1A1
SCHEMBL7373055 0.90 PLAU (0.56) PLAUPLGPLATALDH1A1
SCHEMBL6433537 0.90 PLAU (0.56) PLAUPLGPLATALDH1A1
Hydrochloric Acid SCHEMBL6434303 0.89 PLAU (0.55) PLAUPLGPLATALDH1A1
Hydrochloric Acid SCHEMBL6433796 0.89 PLAU (0.55) PLAUPLGPLATALDH1A1
Hydrochloric Acid SCHEMBL6433802 0.89 PLAU (0.55) PLAUPLGPLATALDH1A1
SCHEMBL6435153 0.85 PLAU (0.52) PLAUPLGPLAT
SCHEMBL7378283 0.85 PLAU (0.52) PLAUPLGPLAT

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