SCHEMBL28658355

SCHEMBL28658355

O=C(O)NCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.62
▸ VHL P40337 1/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL22263314 1.00 AR (0.62) ARVHLRAB9ANPC1LMNA
SCHEMBL22263276 1.00 AR (0.62) ARVHLRAB9ANPC1LMNA
SCHEMBL26464308 0.91 AR (0.57) ARVHLRAB9ANPC1LMNA
SCHEMBL30219489 0.91 AR (0.57) ARVHLRAB9ANPC1LMNA
SCHEMBL26464414 0.90 AR (0.60) ARVHLRAB9ANPC1LMNA
SCHEMBL30291247 0.89 AR (0.59) ARVHLRAB9ANPC1LMNA
SCHEMBL30219491 0.89 AR (0.59) ARVHLRAB9ANPC1LMNA
SCHEMBL30617816 0.89 AR (0.59) ARVHLRAB9ANPC1LMNA
SCHEMBL30291248 0.89 AR (0.59) ARVHLRAB9ANPC1LMNA
SCHEMBL25942618 0.89 AR (0.59) ARVHLRAB9ANPC1LMNA

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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