Bicarbonate

Bicarbonate

SCHEMBL15655331

O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(OC2CCCCC2)c(F)c1.O=C(O)O

nearest known ligand 0.60

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 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.60
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
RXFP1 Q9HBX9 2/20 0.53
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL602099 0.90 DGAT1 (0.74) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL602100 0.90 DGAT1 (0.74) DGAT1MEN1KMT2ANPC1RAB9A
Bicarbonate SCHEMBL15653364 0.89 DGAT1 (0.60) DGAT1MEN1KMT2ANPC1RAB9A
Bicarbonate SCHEMBL15656218 0.85 DGAT1 (0.80) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL3669423 0.84 DGAT1 (0.82) DGAT1MEN1KMT2ANPC1RAB9A
Bicarbonate SCHEMBL15654282 0.82 DGAT1 (0.82) DGAT1MEN1KMT2ANPC1RAB9A
Bicarbonate SCHEMBL15654722 0.80 DGAT1 (0.82) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL602854 0.80 DGAT1 (0.74) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL602855 0.80 DGAT1 (0.74) DGAT1MEN1KMT2ANPC1RAB9A
Bicarbonate SCHEMBL15655199 0.78 DGAT1 (0.76) DGAT1MEN1KMT2ANPC1RAB9A

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-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP claimed