SCHEMBL29451781

SCHEMBL29451781

CCN1CCN(c2ccc(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)c(C)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.58
▸ MITF O75030 8/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ NPSR1 Q6W5P4 5/20 0.58
▸ HTT P42858 5/20 0.58
▸ PAX8 Q06710 6/20 0.54
▸ PRMT5 O14744 7/20 0.51
▸ WDR77 Q9BQA1 7/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 6/20 0.51
▸ L3MBTL1 Q9Y468 5/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ S1PR4 O95977 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.51
▸ RIOK1 Q9BRS2 1/20 0.51
▸ TDP1 Q9NUW8 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
SCHEMBL29451432 0.88 RAB9A (0.58) RAB9AMITFNPC1NPSR1HTT
SCHEMBL29451793 0.85 RAB9A (0.61) RAB9AMITFNPC1NPSR1HTT
SCHEMBL29452154 0.70 MITF (1.00) RAB9AMITFNPC1HTTPAX8
SCHEMBL29451943 0.70 RAB9A (0.53) RAB9AMITFNPC1NPSR1HTT
SCHEMBL29451608 0.70 RAB9A (0.76) RAB9AMITFNPC1NPSR1HTT
SCHEMBL29452083 0.69 PRMT5 (0.74) RAB9AMITFNPC1NPSR1HTT
SCHEMBL29451409 0.69 PRMT5 (0.68) RAB9AMITFNPC1NPSR1HTT
SCHEMBL29452248 0.67 ALDH1A1 (0.64) RAB9AMITFNPC1NPSR1HTT
SCHEMBL24511913 0.67 GAA (0.67) HTTALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL30591094 0.67 GAA (0.67) HTTALDH1A1MAPTL3MBTL1KMT2A

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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