SCHEMBL29452230

SCHEMBL29452230

C[C@H](C(=O)Nc1ccc2c(c1)S(=O)(=O)NCCCN2)n1ncc(Cl)c(Cl)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 8/20 0.45
▸ WDR77 Q9BQA1 8/20 0.45
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MITF O75030 2/20 0.34
▸ PAX8 Q06710 2/20 0.34
▸ RIOK1 Q9BRS2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MDM2 Q00987 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
SCHEMBL29451727 1.00 PRMT5 (0.45) PRMT5WDR77NPC1RAB9AMITF
SCHEMBL29451540 0.86 FPR1 (0.35) PRMT5WDR77NPC1RAB9ARIOK1
SCHEMBL29452153 0.83 PRMT5 (0.35) PRMT5WDR77NPC1RAB9ARIOK1
SCHEMBL29451404 0.80 RAB9A (0.55) PRMT5WDR77NPC1RAB9AMITF
SCHEMBL29451915 0.75 PRMT5 (0.46) PRMT5WDR77NPC1RAB9AMITF
SCHEMBL29452187 0.75 PRMT5 (0.46) PRMT5WDR77NPC1RAB9AMITF
SCHEMBL29451308 0.75 RAB9A (0.57) PRMT5WDR77NPC1RAB9AMITF
SCHEMBL29451807 0.70 PRMT5 (0.67) PRMT5WDR77NPC1RAB9AMITF
SCHEMBL29452171 0.70 PRMT5 (0.71) PRMT5WDR77NPC1RAB9AMITF
SCHEMBL14501195 0.63 HTT (0.44) PRMT5WDR77NPC1RAB9AMITF

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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