SCHEMBL25823940

SCHEMBL25823940

COc1cc2ccccc2cc1C1OC(CO)C(O)C1N=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 10/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
SLC5A1 P13866 5/20 0.43
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
ACHE P22303 1/20 0.40
DNMT1 P26358 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LGALS3 P17931 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL22314229 0.85 SLC5A2 (0.59) SLC5A2SLC5A1SELLSELPACHE
SCHEMBL26192723 0.85 SLC5A2 (0.59) SLC5A2SLC5A1SELLSELPACHE
SCHEMBL22314236 0.85 SLC5A2 (0.59) SLC5A2SLC5A1SELLSELPACHE
SCHEMBL22342688 0.72 SLC5A2 (0.39) SLC5A2CA12CA1CA7CA9
SCHEMBL22314228 0.72 SLC5A2 (0.39) SLC5A2CA12CA1CA7CA9
SCHEMBL20506685 0.72 SLC5A2 (0.39) SLC5A2CA12CA1CA7CA9
SCHEMBL27260200 0.72 SLC5A2 (0.39) SLC5A2CA12CA1CA7CA9
SCHEMBL22314230 0.72 SLC5A2 (0.39) SLC5A2CA12CA1CA7CA9
SCHEMBL22570833 0.72 SLC5A2 (0.39) SLC5A2CA12CA1CA7CA9
SCHEMBL19673038 0.71 KDM4E (0.55) SLC5A2CA12CA1CA7CA9

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
WO-2023122750-A1 CANCER COMBINATION THERAPY WITH IL-2 CONJUGATES AND CETUXIMAB Synthorx, Inc. (US) 2023-06-29 WO disclosed