SCHEMBL28654411

SCHEMBL28654411

C[C@H](CN1CCc2ccccc2C1)OC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.51
▸ PRMT5 O14744 15/20 0.51
▸ WDR77 Q9BQA1 12/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL28654413 1.00 CARM1 (0.51) CARM1PRMT5WDR77MEN1KMT2A
SCHEMBL28656457 0.90 POLB (0.48) CARM1POLB
SCHEMBL28656456 0.90 POLB (0.48) CARM1POLB
SCHEMBL28673309 0.84 PRMT5 (0.43) PRMT5WDR77
SCHEMBL28673307 0.84 PRMT5 (0.43) PRMT5WDR77
SCHEMBL28670701 0.81 DRD2 (0.53) CARM1PRMT5WDR77POLB
SCHEMBL18212446 0.76 CARM1 (0.57) CARM1PRMT5WDR77MEN1KMT2A
SCHEMBL30304699 0.76 CARM1 (0.66) CARM1PRMT5WDR77MEN1KMT2A
SCHEMBL28655189 0.76 CARM1 (0.57) CARM1PRMT5WDR77MEN1KMT2A
SCHEMBL28057284 0.76 CARM1 (0.66) CARM1PRMT5WDR77MEN1KMT2A

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-107735088-B Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2021-11-02 — — CN disclosed
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