SCHEMBL20727230

SCHEMBL20727230

CCN(c1c(C)c(Br)cc2[nH]ncc12)C1CCC(N(C)CCOC)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ PAK3 O75914 1/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ PAK2 Q13177 1/20 0.32
▸ EZH2 Q15910 2/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ EZH1 Q92800 1/20 0.31

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
SCHEMBL20727226 0.80 PDE7A (0.36) S1PR1PAK3PAK1PAK2PDE7A
SCHEMBL20727202 0.80 PDE4B (0.34) EZH2EZH1
SCHEMBL20727228 0.80 EZH2 (0.38) TLR9TLR8TLR7EZH2PDE7A
SCHEMBL20727222 0.74 GRIN2B (0.35) TLR9TLR8TLR7
SCHEMBL20727247 0.67 EZH2 (0.44) EZH2PDE7AEZH1
SCHEMBL20727248 0.67 EZH2 (0.45) EZH2PDE7AEZH1
SCHEMBL15700502 0.64 EZH2 (0.50) EZH2PDE7AEZH1
SCHEMBL15647390 0.64 EZH2 (0.50) EZH2PDE7AEZH1
SCHEMBL15647389 0.64 EZH2 (0.50) EZH2PDE7AEZH1
SCHEMBL20727144 0.63 EZH2 (0.34) EZH2EZH1

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
EP-3441388-A1 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-02-13 — — EP disclosed
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