SCHEMBL9953859

SCHEMBL9953859

COc1ncc(Br)cc1Cn1cccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.38
▸ GAA P10253 3/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ KAT7 O95251 5/20 0.37
▸ KAT6A Q92794 5/20 0.37
▸ KAT6B Q8WYB5 4/20 0.37
▸ KAT5 Q92993 3/20 0.37
▸ KAT8 Q9H7Z6 3/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL31172777 0.78 KAT7 (0.41) MAPTGAAKAT7KAT6AKAT6B
SCHEMBL15053030 0.75 CNR2 (0.37) MAPTGAACNR2MEN1KMT2A
SCHEMBL9954162 0.75 ALDH1A1 (0.47) ALDH1A1
SCHEMBL23363880 0.72 CNR2 (0.37) MAPTGAACNR2KMT2AALDH1A1
SCHEMBL29934730 0.72 CNR2 (0.37) MAPTGAACNR2KMT2AALDH1A1
SCHEMBL31172576 0.71 HTR2A (0.46) MAPTKAT7KAT6AKAT6BKAT5
SCHEMBL5783206 0.71 PDE4A (0.37) MAPTGAACNR2MEN1KMT2A
SCHEMBL22047869 0.71 CNR2 (0.36) MAPTGAACNR2KMT2AALDH1A1
SCHEMBL5779592 0.71 CNR2 (0.36) MAPTGAACNR2MEN1KMT2A
SCHEMBL15052560 0.71 CNR2 (0.36) MAPTGAACNR2KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — WO disclosed
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