SCHEMBL31376007

SCHEMBL31376007

CC(C)(C)OC(=O)NCc1n[nH]c(=O)c2c(C#N)cc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 9/20 0.56
▸ WDR77 Q9BQA1 9/20 0.56
▸ PARP1 P09874 3/20 0.42
▸ NSD2 O96028 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GFER P55789 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL31376006 0.86 PRMT5 (0.51) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL27386026 0.79 PRMT5 (0.50) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL27002206 0.77 PARP1 (0.54) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL29915196 0.76 PRMT5 (0.70) PRMT5WDR77
SCHEMBL30752865 0.75 PRMT5 (0.50) PRMT5WDR77PARP1KDM4ELMNA
SCHEMBL30752999 0.74 PRMT5 (0.44) PRMT5WDR77PARP1KDM4ELMNA
SCHEMBL27002412 0.73 PRMT5 (0.73) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL27002484 0.73 PRMT5 (0.56) PRMT5WDR77PARP1KDM4ELMNA
SCHEMBL23087171 0.73 PRMT5 (1.00) PRMT5WDR77
SCHEMBL29735209 0.73 PRMT5 (1.00) PRMT5WDR77

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
Send feedback