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SCHEMBL7539644

SCHEMBL7539644

CC(C)C(O)(c1ccc2c(Cl)c(C#N)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.CC(C)C(O)(c1ccc2c(Cl)c(OS(=O)(=O)C(F)(F)F)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.32
▸ SCN9A Q15858 3/20 0.32
▸ CYP17A1 P05093 2/20 0.30
▸ AR P10275 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL4030196 0.93 RORC (0.35) RORCCYP17A1CYP3A4
SCHEMBL4023660 0.89 RORC (0.38) RORCCYP17A1ARCYP3A4
SCHEMBL1414935 0.85 SIRT2 (0.34) RORCCYP17A1CYP3A4
SCHEMBL4031834 0.81 CYP17A1 (0.35) CYP17A1CYP3A4
SCHEMBL1414885 0.80 CYP17A1 (0.41) CYP17A1CYP3A4
SCHEMBL1414819 0.79 CYP3A4 (0.40) CYP17A1CYP3A4
SCHEMBL4030998 0.79 RORC (0.36) RORCCYP17A1CYP3A4
SCHEMBL4032165 0.77 RORC (0.40) RORCCYP17A1CYP3A4
SCHEMBL4026083 0.76 CYP17A1 (0.44) RORCCYP17A1CYP3A4
SCHEMBL4030722 0.76 RORC (0.41) RORCCYP17A1CYP3A4

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