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SCHEMBL7535151

SCHEMBL7535151

CNC(=O)c1c(O)ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc12.CNC(=O)c1c(O[Si](C)(C)C(C)(C)C)ccc2cc(Br)ccc12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.33
▸ CYP17A1 P05093 2/20 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
SCHEMBL4028814 0.93 CYP17A1 (0.36) SIRT2CYP17A1
SCHEMBL4027282 0.87 CYP17A1 (0.40) SIRT2CYP17A1
SCHEMBL4027190 0.83 CYP3A4 (0.38) SIRT2CYP17A1
SCHEMBL1415016 0.80 CYP3A4 (0.34) SIRT2CYP17A1
SCHEMBL4030998 0.80 RORC (0.36) SIRT2CYP17A1
SCHEMBL4031834 0.80 CYP17A1 (0.35) SIRT2CYP17A1
SCHEMBL4028694 0.77 CYP3A4 (0.38) SIRT2CYP17A1
SCHEMBL1414804 0.75 CYP17A1 (0.38) SIRT2CYP17A1
SCHEMBL4029531 0.75 CYP17A1 (0.56) SIRT2CYP17A1
SCHEMBL1414831 0.75 CYP3A4 (0.40) SIRT2CYP17A1

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-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 — — EP disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 — — WO disclosed