Bicarbonate

Bicarbonate

SCHEMBL485488

O=C(NC1CCCC1)c1sc2ccccc2c1OCc1ccc(OC(F)(F)F)cc1.O=C(O)O

nearest known ligand 0.45

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 18)

geneUniProtsupporting neighboursconfidence
SENP5 Q96HI0 11/20 0.45
SENP2 Q9HC62 11/20 0.45
SENP1 Q9P0U3 11/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
USP2 O75604 1/20 0.43
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL485760 0.98 NPC1 (0.46) SENP5SENP2SENP1MEN1ALDH1A1
SCHEMBL486273 0.87 SENP5 (0.56) SENP5SENP2SENP1MEN1ALDH1A1
SCHEMBL4632958 0.83 KDM4E (0.51) SENP5SENP2SENP1ALDH1A1USP2
SCHEMBL485385 0.81 SENP2 (0.46) SENP5SENP2SENP1USP2
SCHEMBL4605877 0.80 SENP5 (0.48) SENP5SENP2SENP1USP2
SCHEMBL484955 0.80 CXCR2 (0.65) SENP5SENP2SENP1USP2
SCHEMBL485551 0.80 ALDH1A1 (0.49) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL485455 0.78 CXCR2 (0.49) MEN1ALDH1A1KMT2ANPC1SGMS2
SCHEMBL485732 0.78 CXCR2 (0.52) SENP5SENP2SENP1USP2
SCHEMBL4633007 0.77 KMT2A (0.55) SENP5SENP2SENP1ALDH1A1KMT2A

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-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP claimed