SCHEMBL30291248

SCHEMBL30291248

CC(C)(C)OC(=O)NCCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.59
▸ VHL P40337 1/20 0.42
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PIK3CG P48736 1/20 0.36

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
SCHEMBL25942618 1.00 AR (0.59) ARVHLRAF1BRAFNPC1
SCHEMBL30617816 1.00 AR (0.59) ARVHLRAF1BRAFNPC1
SCHEMBL30219491 1.00 AR (0.59) ARVHLRAF1BRAFNPC1
SCHEMBL30291247 1.00 AR (0.59) ARVHLRAF1BRAFNPC1
SCHEMBL30219486 0.93 AR (0.61) ARVHLRAF1BRAFNPC1
SCHEMBL26464151 0.93 AR (0.61) ARVHLRAF1BRAFNPC1
SCHEMBL26464411 0.89 AR (0.57) ARVHLRAF1BRAFNPC1
SCHEMBL22263276 0.89 AR (0.62) ARVHLRAF1BRAFNPC1
SCHEMBL22263314 0.89 AR (0.62) ARVHLRAF1BRAFNPC1
SCHEMBL28658355 0.89 AR (0.62) ARVHLRAF1BRAFNPC1

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-2023039603-A2 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR MONTELINO THERAPEUTICS, INC. (US) 2023-03-16 — — WO disclosed
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