SCHEMBL6568540

SCHEMBL6568540

C=C[C@@H](COS(=O)(=O)c1ccc(C)cc1)Oc1c(C=CC)ccc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.37
CYP24A1 Q07973 2/20 0.35
KDM4E B2RXH2 1/20 0.34
UBE2N P61088 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL6757602 1.00 HTR6 (0.37) HTR6CYP24A1KDM4EUBE2NRAPGEF4
SCHEMBL6568535 1.00 HTR6 (0.37) HTR6CYP24A1KDM4EUBE2NRAPGEF4
SCHEMBL6757596 1.00 HTR6 (0.37) HTR6CYP24A1KDM4EUBE2NRAPGEF4
SCHEMBL6757600 1.00 HTR6 (0.37) HTR6CYP24A1KDM4EUBE2NRAPGEF4
SCHEMBL6570213 0.79 SMN1; SMN2 (0.33) CYP24A1MEN1KMT2A
SCHEMBL6570206 0.79 SMN1; SMN2 (0.33) CYP24A1MEN1KMT2A
SCHEMBL4622561 0.74 DHODH (0.34)
SCHEMBL4622563 0.74 DHODH (0.34)
SCHEMBL4622571 0.74 DHODH (0.34)
SCHEMBL4622568 0.74 DHODH (0.34)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432694-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES Wyeth (US) 2004-06-30 EP disclosed
WO-2003031428-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES WYETH (US) 2003-04-17 WO disclosed