SCHEMBL28688346

SCHEMBL28688346

CC1(C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.52
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MYOC Q99972 1/20 0.44
▸ EPHX1 P07099 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 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
SCHEMBL28688348 1.00 AR (0.52) ARMEN1KMT2AMAPTMAPK1
SCHEMBL28688534 0.89 AR (0.65) ARMEN1KMT2AMAPTMAPK1
SCHEMBL28688535 0.89 AR (0.65) ARMEN1KMT2AMAPTMAPK1
SCHEMBL28664095 0.87 AR (0.54) AR
SCHEMBL28664094 0.87 AR (0.54) AR
SCHEMBL28660355 0.77 AR (0.70) AR
SCHEMBL28485733 0.76 AR (0.69) AR
SCHEMBL28660373 0.76 AR (0.69) AR
SCHEMBL22565172 0.76 AR (0.69) AR
SCHEMBL28688341 0.76 AR (0.54) AR

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-113735845-A Androgen receptor degradation agent and application thereof 梅德盛 2021-12-03 — — CN disclosed
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