Bicarbonate

Bicarbonate

SCHEMBL9850864

Cc1ccc(NN)c(C)c1.O=C(O)O

nearest known ligand 0.56

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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 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 2/20 0.49
MAPK1 P28482 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
RAB9A P51151 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL1010790 0.89 RAPGEF4 (0.56) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL29401670 0.89 RAPGEF4 (0.56) MEN1KMT2ASMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL30977785 0.87 RAPGEF4 (0.54) MEN1KMT2ASMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL1012671 0.87 RAPGEF4 (0.54) MEN1KMT2ASMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL19837651 0.85 RAPGEF4 (0.52) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL9389855 0.81 HTT (0.51) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL17627505 0.80 MEN1 (0.58) MEN1KMT2AHTTALDH1A1L3MBTL1
SCHEMBL2091371 0.79 MEN1 (0.71) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL6235537 0.78 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL6624901 0.78 MEN1 (0.57) MEN1KMT2AHTTALDH1A1L3MBTL1

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-0419918-A2 Substituted 1,3,4-oxa(thia)-diazolinones, process for their preparation and their use in controlling endoparasites BAYER AG (DE) 1991-04-03 EP disclosed