SCHEMBL25100882

SCHEMBL25100882

O=S(=O)(Oc1cc(-c2nc3ccccc3nc2-c2ccccc2)ccc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccn3)cc2)cc(CCc2ccc(-c3ccccn3)cc2)c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
DHODH Q02127 1/20 0.32
PDK2 Q15119 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
BRS3 P32247 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TOP1 P11387 1/20 0.31
WNT3A P56704 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL23956269 0.90 L3MBTL1 (0.38) L3MBTL1AKT1AKT2PDE4APDE4C
SCHEMBL21290352 0.90 PDK2 (0.39) FFAR1PDK2CA12CA1CA2
SCHEMBL25100510 0.88 NPC1 (0.35) FFAR1DHODHPDK2CA12CA1
SCHEMBL25100885 0.87 FFAR1 (0.34) FFAR1PDE4APDE4CPDE4DDHODH
SCHEMBL25100559 0.85 L3MBTL1 (0.48) L3MBTL1FFAR1AKT1AKT2ADORA1
SCHEMBL25100807 0.84 WNT3A (0.35) FFAR1PDK2CA12CA1CA2
SCHEMBL25100802 0.83 BRS3 (0.35) FFAR1PDK2CA12CA1CA2
SCHEMBL25100506 0.83 BRS3 (0.33) FFAR1PDK2CA12CA1CA2
SCHEMBL21290140 0.82 AKT1 (0.40) L3MBTL1FFAR1AKT1AKT2DHODH
SCHEMBL25100801 0.82 CCR6 (0.33) FFAR1PDK2CA12CA1CA2

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-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed