SCHEMBL21697598

SCHEMBL21697598

Clc1cc(OCc2ccccc2)c(Br)cc1Cc1cc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 7/20 0.42
SLC5A1 P13866 5/20 0.42
AGXT P21549 1/20 0.40
PTGER1 P34995 3/20 0.39
CYP2A6 P11509 3/20 0.37
ADRB2 P07550 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1D1 P20393 1/20 0.36
NR1H3 Q13133 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ADRA1D P25100 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL20741882 0.86 CYP2A6 (0.40) SLC5A2AGXTPTGER1CYP2A6ADRB2
SCHEMBL21697633 0.86 SLC5A2 (0.40) SLC5A2SLC5A1AGXTPTGER1CYP2A6
SCHEMBL20741835 0.85 SLC5A2 (0.44) SLC5A2SLC5A1AGXTCYP2A6ADRB2
SCHEMBL16020899 0.83 SLC5A2 (0.44) SLC5A2SLC5A1AGXTCYP2A6ADRB2
SCHEMBL21697640 0.83 AGXT (0.40) SLC5A2SLC5A1AGXTPTGER1CYP2A6
SCHEMBL21697625 0.82 AGXT (0.36) SLC5A2AGXTPTGER1CYP2A6ADRB2
SCHEMBL21697590 0.80 PTGER1 (0.43) PTGER1SMN1; SMN2MRGPRX4
SCHEMBL21697653 0.77 CYP2A6 (0.40) SLC5A2AGXTCYP2A6ADRB2ASIC3
SCHEMBL16018607 0.77 CYP2A6 (0.47) SLC5A2SLC5A1AGXTCYP2A6ADRB2
SCHEMBL21697565 0.75 FFAR1 (0.36) PTGER1RAB9ASMN1; SMN2MRGPRX4

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-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed