SCHEMBL6799101

SCHEMBL6799101

CC(C)(C)[Si](C)(C)Oc1ccc(CN(c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
STS P08842 1/20 0.40
NR3C1 P04150 2/20 0.38
PGR P06401 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAOB P27338 4/20 0.36
MAOA P21397 1/20 0.36
AR P10275 1/20 0.36
PREP P48147 1/20 0.36
ACHE P22303 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SNCA P37840 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SLC6A4 P31645 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL6800189 0.94 POLB (0.42) CYP19A1STSNR3C1PGRMAOB
SCHEMBL6798881 0.90 NR3C1 (0.37) CYP19A1STSNR3C1PGRMAOB
SCHEMBL1067888 0.84 PREP (0.43) CYP19A1CYP2A6MAOBPREPF2
SCHEMBL6798344 0.77 CACNA1B (0.52) LOXL2
SCHEMBL6802630 0.77 MEN1 (0.55)
SCHEMBL6802293 0.77 MEN1 (0.45)
SCHEMBL16467813 0.76 GSK3B (0.46) PGRPREP
SCHEMBL6799479 0.74 CYP19A1 (0.50) CYP19A1MAOBMAOASNCA
SCHEMBL1246617 0.73 PREP (0.42) PREP
SCHEMBL6797228 0.71 ESR1 (0.61) CYP19A1CYP2A6ARCRHBPCRHR2

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
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed