SCHEMBL28654521

SCHEMBL28654521

NC(=O)OCCCCNC(=O)COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.56
▸ VHL P40337 1/20 0.50
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL28649816 0.99 AR (0.56) ARVHLNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL22263254 0.91 AR (0.60) ARVHLNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL30938119 0.90 AR (0.59) ARVHLNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL30938120 0.90 AR (0.59) ARVHLNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL22263225 0.90 AR (0.59) ARVHLNPC1RAB9ASMN1; SMN2
SCHEMBL22263271 0.90 AR (0.61) ARVHLNPC1RAB9ASMN1; SMN2
SCHEMBL22263332 0.89 AR (0.60) ARVHLNPC1RAB9ASMN1; SMN2
SCHEMBL28667525 0.88 AR (0.54) ARVHLNPC1RAB9ALMNA
SCHEMBL23846235 0.88 AR (0.61) ARVHLNPC1RAB9ASMN1; SMN2
SCHEMBL22402900 0.88 AR (0.59) ARVHLNPC1RAB9ASMN1; 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
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
Send feedback