SCHEMBL30938129

SCHEMBL30938129

O=C(O)CCCCCCCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.66
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ VHL P40337 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL22263324 1.00 AR (0.66) ARRAB9ANPC1LMNAHTT
SCHEMBL26458261 0.99 AR (0.67) ARRAB9ANPC1LMNAHTT
SCHEMBL26459201 0.92 AR (0.67) ARRAB9ANPC1LMNAHTT
SCHEMBL26458268 0.89 AR (0.69) ARRAB9ANPC1LMNAHTT
SCHEMBL22263246 0.89 AR (0.64) ARRAB9ANPC1LMNAHTT
SCHEMBL26458194 0.88 AR (0.60) ARRAB9ANPC1LMNAHTT
SCHEMBL22263288 0.88 AR (0.72) ARRAB9ANPC1LMNAHTT
SCHEMBL22402900 0.87 AR (0.59) ARRAB9ANPC1LMNAHTT
SCHEMBL26458197 0.86 AR (0.75) ARRAB9ANPC1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL30219487 0.85 AR (0.74) ARRAB9ANPC1LMNASMN1; SMN2

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-2024102810-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR MONTELINO THERAPEUTICS, INC. (US) 2024-05-16 — — WO disclosed
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