Bicarbonate

Bicarbonate

SCHEMBL166149

Clc1[nH]nc(-c2ccccc2)c1Cl.O=C(O)O

nearest known ligand 0.50

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 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.44
ALPL P05186 1/20 0.44
IDO1 P14902 1/20 0.44
TTK P33981 1/20 0.44
MAPK10 P53779 1/20 0.44
RAB9A P51151 3/20 0.43
MAP2K4 P45985 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 1/20 0.42
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE3B Q13370 1/20 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
SCHEMBL5264590 0.92 HPGD (0.52) HPGDATMNPSR1KDM4ELMNA
SCHEMBL3988734 0.76 NPSR1 (0.61) HPGDATMNPSR1KDM4EALDH1A1
SCHEMBL13739801 0.75 ALDH1A1 (0.60) HPGDATMNPSR1KDM4ELMNA
SCHEMBL11664468 0.73 ALDH1A1 (0.53) HPGDATMNPSR1KDM4ELMNA
SCHEMBL2875179 0.73 AKT2 (0.50) HPGDATMNPSR1KDM4ELMNA
SCHEMBL29956253 0.73 HPGD (0.49) HPGDATMNPSR1KDM4ELMNA
SCHEMBL27376029 0.73 HPGD (0.49) HPGDATMNPSR1KDM4ELMNA
SCHEMBL17214888 0.73 GRK6 (0.48) HPGDNPSR1KDM4EALDH1A1RAB9A
SCHEMBL7617054 0.71 CDK8 (0.57) HPGDATMNPSR1KDM4ELMNA
SCHEMBL10784410 0.71 NPSR1 (0.51) HPGDATMNPSR1KDM4EALDH1A1

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 615 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP claimed
WO-2011138280-A2 HERBICIDE/SAFENER COMBINATIONS COMPRISING ARYLPYRIDAZINONES AND SAFENER BAYER CROPSCIENCE AG (DE) 2011-11-10 WO claimed
EP-2369927-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
EP-2369931-A2 HERBICIDE/SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
EP-2369922-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
EP-2210492-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-07-28 EP claimed
WO-2010060578-A2 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO claimed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO claimed
WO-2010060580-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO claimed
WO-2010060579-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO claimed
EP-2191720-A1 Herbicide-safener combination Bayer CropScience AG (DE) 2010-06-02 EP claimed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP claimed
EP-2191716-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP claimed
EP-3668845-B1 HERBICIDALLY ACTIVE 3-PHENYL-5-TRIFLUORMETHYLISOXAZOLIN-5-CARBOXAMIDES OF CYCLOPENTYL CARBOXYLIC ACIDS AND ESTERS BAYER AG (DE) 2024-06-26 EP disclosed
WO-2024104956-A1 SUBSTITUTED CYCLOALKYLSULFANYLPHENYLURACILS AND THEIR SALTS, AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed
WO-2024104952-A1 SUBSTITUTED CYCLOPROPYLOXYPHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed
WO-1993000010-A1 NEW MIXTURES OF HERBICIDES AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 WO disclosed
EP-0521407-A1 New mixtures of herbicides and antidotes Hoechst Schering AgrEvo GmbH (DE) 1993-01-07 EP disclosed
EP-0492367-A2 Mixtures of herbicides and antidotes Hoechst Schering AgrEvo GmbH (DE) 1992-07-01 EP disclosed