SCHEMBL30938128

SCHEMBL30938128

O=C(O)CCCCCCCCOc1ccc(-c2csc(N3CCOCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.56
▸ RAB9A P51151 9/20 0.55
▸ NPC1 O15118 7/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ MAPK1 P28482 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ HTT P42858 1/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL30938122 0.88 AR (0.55) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL27315641 0.86 AR (0.62) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL727424 0.81 RAB9A (0.54) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18674683 0.79 AR (0.64) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL22263324 0.79 AR (0.66) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL30938129 0.79 AR (0.66) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL26458261 0.78 AR (0.67) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL1473981 0.77 AR (0.71) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18674648 0.75 RAB9A (0.74) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL24939664 0.74 AR (0.60) ARRAB9ANPC1SMN1; 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 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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