SCHEMBL29452008

SCHEMBL29452008

CC(C(=O)Nc1ccc2c(c1)S(=O)(=O)N(C)CCN2C)n1ncc(F)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ PTK2 Q05397 2/20 0.37
▸ PRMT5 O14744 2/20 0.36
▸ WDR77 Q9BQA1 2/20 0.36
▸ RIOK1 Q9BRS2 1/20 0.36
▸ BACE1 P56817 2/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29451823 0.85 KDM4E (0.40) KDM4EPTK2PRMT5WDR77BACE1
SCHEMBL29452187 0.83 PRMT5 (0.46) KDM4EPRMT5WDR77RIOK1ALDH1A1
SCHEMBL29451915 0.83 PRMT5 (0.46) KDM4EPRMT5WDR77RIOK1ALDH1A1
SCHEMBL29451485 0.81 PRMT5 (0.46) KDM4EPTK2PRMT5WDR77RIOK1
SCHEMBL29452153 0.75 PRMT5 (0.35) KDM4EPRMT5WDR77RIOK1BACE2
SCHEMBL29451486 0.70 PRMT5 (0.47) KDM4EPRMT5WDR77RIOK1ALDH1A1
SCHEMBL29451755 0.69 KCNJ6 (0.52) KDM4EPRMT5WDR77RIOK1ALDH1A1
SCHEMBL29451674 0.67 PRMT5 (0.59) PRMT5WDR77RIOK1ALDH1A1RECQL
SCHEMBL29452006 0.65 ALDH1A1 (0.44) KDM4EALDH1A1POLBLMNA
SCHEMBL29451286 0.61 CA12 (0.47) KDM4EALDH1A1POLBMAPTHTT

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
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 — — WO disclosed
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