SCHEMBL22291226

SCHEMBL22291226

CCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 15/20 0.73
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL25942616 0.91 AR (0.71) ARNPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL22263265 0.90 AR (0.70) ARNPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL22263280 0.90 AR (0.70) ARNPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL22263323 0.90 AR (0.70) ARNPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL30219483 0.90 AR (0.70) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17014743 0.87 AR (0.60) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL22263397 0.86 AR (0.64) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL28928391 0.86 AR (0.64) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL26458197 0.86 AR (0.75) ARNPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL30219487 0.85 AR (0.74) ARNPC1RAB9ASMN1; SMN2MAPK1

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-3917916-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR Montelino Therapeutics, Inc. (US) 2021-12-08 — — EP disclosed
WO-2020160295-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR MONTELINO THERAPEUTICS, LLC (US) 2020-08-06 — — WO disclosed
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