Bicarbonate

Bicarbonate

SCHEMBL6589541

C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1.O=C(O)O

nearest known ligand 0.70

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
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
DRD2 P14416 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
PKM P14618 1/20 0.48
TBXA2R P21731 5/20 0.48
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL7468696 0.95 MEN1 (0.77) MEN1KMT2ACA1CA2MMP1
SCHEMBL30737179 0.88 KMT2A (0.88) MEN1KMT2ACA1CA2MMP1
SCHEMBL2821240 0.88 KMT2A (0.88) MEN1KMT2ACA1CA2MMP1
SCHEMBL4531038 0.83 MEN1 (0.64) MEN1KMT2ACA1CA2MMP1
SCHEMBL34474241 0.83 KMT2A (0.94) MEN1KMT2ACA1CA2MMP1
SCHEMBL12481279 0.83 KMT2A (0.94) MEN1KMT2ACA1CA2MMP1
SCHEMBL15334448 0.83 KMT2A (1.00) MEN1KMT2ACA1CA2MMP1
SCHEMBL4733033 0.81 MEN1 (0.68) MEN1KMT2ACA1CA2MMP1
SCHEMBL22042382 0.81 MEN1 (0.64) MEN1KMT2ACA1CA2MMP1
SCHEMBL14163384 0.81 KMT2A (0.97) MEN1KMT2ACA1CA2MMP1

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-1169338-B1 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES ABBOTT GMBH & CO KG (DE) 2004-11-03 EP disclosed