SCHEMBL8516028

SCHEMBL8516028

Cn1cc(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)c2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
EPHX2 P34913 1/20 0.34
ACHE P22303 1/20 0.33
SLC28A3 Q9HAS3 2/20 0.33
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL8516031 0.87 KMT2A (0.51) KMT2AMEN1SLC5A1SLC5A2EPHX2
SCHEMBL8516029 0.87 KMT2A (0.51) KMT2AMEN1SLC5A1SLC5A2EPHX2
SCHEMBL3648218 0.84 SLC5A2 (0.42) SLC5A1SLC5A2EPHX2SLC28A3
SCHEMBL22412720 0.84 SLC5A2 (0.42) SLC5A1SLC5A2EPHX2SLC28A3
SCHEMBL7944601 0.76 CD209 (0.41) SLC5A1SLC5A2EPHX2SLC28A3
SCHEMBL6844264 0.76 CD209 (0.41) SLC5A1SLC5A2EPHX2SLC28A3
SCHEMBL14892463 0.75 ATM (0.40) SLC5A1SLC5A2EPHX2
SCHEMBL154170 0.74 ATM (0.40) SLC5A1SLC5A2EPHX2
SCHEMBL15558748 0.74 SLC5A2 (0.37) KMT2ASLC5A1SLC5A2EPHX2
SCHEMBL5333550 0.73 ATM (0.40) SLC5A1SLC5A2EPHX2

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-1999050438-A2 CHROMOGENIC INDOLE DERIVATIVES INALCO S.P.A. (IT) 1999-10-07 WO disclosed