SCHEMBL28161565

SCHEMBL28161565

Cn1nc2cccc(Br)c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.44
▸ SLC9A1 P19634 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ HTR3B O95264 1/20 0.30
▸ HTR3A P46098 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL30474592 0.81 PRMT5 (0.41) SLC9A1KEAP1HSD11B1SMN1; SMN2RECQL
SCHEMBL16506376 0.79 PDE10A (0.38) PDPK1SLC9A1KEAP1HSD11B1PDE10A
SCHEMBL31439989 0.78 BACE1 (0.38) PDPK1SLC9A1KEAP1PDE10APRMT5
SCHEMBL21631683 0.78 PTPN11 (0.33) —
SCHEMBL27229417 0.78 PDPK1 (0.37) PDPK1SLC9A1KEAP1PDE10ABACE1
SCHEMBL23229326 0.76 PTPN11 (0.32) —
SCHEMBL28860343 0.75 PDPK1 (0.35) PDPK1SLC9A1KEAP1PDE10A
SCHEMBL21631391 0.75 HTR1A (0.34) SMN1; SMN2
SCHEMBL31211051 0.74 PDPK1 (0.34) PDPK1SLC9A1KEAP1PDE10A
SCHEMBL27359788 0.74 PDE10A (0.38) PDPK1SLC9A1KEAP1PDE10A

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-107001330-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2017-08-01 — — CN disclosed
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