SCHEMBL31375998

SCHEMBL31375998

CC(C)(C)OC(=O)NCc1n[nH]c(=O)c2ccc(B(O)O)cc12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 9/20 0.63
▸ WDR77 Q9BQA1 9/20 0.63
▸ PARP1 P09874 2/20 0.46
▸ BRD4 O60885 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL23087948 0.84 PRMT5 (0.66) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL31519288 0.83 PRMT5 (0.64) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL31519320 0.83 PRMT5 (0.63) PRMT5WDR77PARP1BRD4SMN1; SMN2
SCHEMBL31568857 0.83 PRMT5 (0.63) PRMT5WDR77PARP1BRD4SMN1; SMN2
SCHEMBL31380359 0.79 PRMT5 (0.61) PRMT5WDR77PARP1
SCHEMBL23087489 0.78 PRMT5 (1.00) PRMT5WDR77PARP1
SCHEMBL31540443 0.76 PRMT5 (0.57) PRMT5WDR77PARP1SMN1; SMN2
SCHEMBL23087677 0.75 PRMT5 (0.72) PRMT5WDR77
SCHEMBL29735283 0.75 PRMT5 (0.72) PRMT5WDR77
SCHEMBL31376006 0.74 PRMT5 (0.51) PRMT5WDR77PARP1BRD4TDP1

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-119219608-A Polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-12-31 — — CN disclosed
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