SCHEMBL29094469

SCHEMBL29094469

CC(C)(C#N)Nc1ccc(Br)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
MAOB P27338 1/20 0.33
IDH1 O75874 1/20 0.32
NOTUM Q6P988 1/20 0.31
KDM1A O60341 2/20 0.30
KCNH2 Q12809 2/20 0.30
KDM1B Q8NB78 1/20 0.30

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
SCHEMBL30382199 0.84 RAPGEF4 (0.40) IDO1IDH1NOTUM
SCHEMBL25298504 0.84 RAPGEF4 (0.40) IDO1IDH1NOTUM
SCHEMBL12883518 0.80 IDO1 (0.39) IDO1MAOBKDM1AKCNH2KDM1B
SCHEMBL31071619 0.80 AR (0.37) IDH1
SCHEMBL15506539 0.80 AR (0.37) IDH1
SCHEMBL22117744 0.77 ALOX15 (0.40) IDO1
SCHEMBL16938860 0.75 ABCC9 (0.40) MAOB
SCHEMBL11939279 0.74 ALDH1A1 (0.38)
SCHEMBL25249405 0.74 POLB (0.46) IDO1
SCHEMBL21788380 0.74 KDM4E (0.40)

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-116891457-A Chimeric compound for androgen receptor protein targeted degradation, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-10-17 CN disclosed