SCHEMBL3960593

SCHEMBL3960593

Nc1csc(-c2ccc(C[O])nc2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
PRMT1 Q99873 3/20 0.35
GFER P55789 1/20 0.34
AXL P30530 1/20 0.34
PBRM1 Q86U86 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SREBF2 Q12772 1/20 0.34
LMNA P02545 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL13629649 0.84 SREBF2 (0.42) CYP19A1CDC25ACDC25BPRMT1GFER
SCHEMBL13629628 0.84 PIK3CA (0.48) CYP19A1CDC25ACDC25BPRMT1GFER
SCHEMBL3647330 0.82 CDC25A (0.38) CYP19A1CDC25ACDC25BPRMT1GFER
SCHEMBL13057201 0.81 PIK3CD (0.51) CYP19A1CDC25ACDC25BPRMT1MEN1
SCHEMBL13615799 0.81 PDE10A (0.38) CYP19A1CDC25ACDC25BPRMT1MEN1
SCHEMBL20390796 0.80 CDC25A (0.40) CYP19A1CDC25ACDC25BPRMT1AXL
SCHEMBL20390797 0.80 MEN1 (0.50) CYP19A1CDC25ACDC25BAXLPBRM1
SCHEMBL4308509 0.76 CYP2E1 (0.46) CYP19A1CDC25ACDC25BAXLPBRM1
SCHEMBL4308505 0.76 CDC25A (0.39) CYP19A1CDC25ACDC25BPRMT1AXL
SCHEMBL12680158 0.73 CDC25A (0.34) CYP19A1CDC25ACDC25BPRMT1MEN1

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-2009039177-A1 6, 11-BICYCLOIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed