SCHEMBL28928391

SCHEMBL28928391

NC(=O)OCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 15/20 0.64
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL22263397 1.00 AR (0.64) ARNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25942616 0.89 AR (0.71) ARNPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL30219483 0.88 AR (0.70) ARNPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL22263280 0.88 AR (0.70) ARNPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL22263323 0.88 AR (0.70) ARNPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL22263265 0.88 AR (0.70) ARNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL26459201 0.86 AR (0.67) ARNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22291226 0.86 AR (0.73) ARNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22263276 0.86 AR (0.62) ARNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28658355 0.86 AR (0.62) ARNPC1RAB9ASMN1; SMN2LMNA

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
CN-113677668-A Bifunctional compounds and methods for androgen receptor targeted ubiquitination 蒙特利诺治疗公司 2021-11-19 — — CN disclosed
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