SCHEMBL20083142

SCHEMBL20083142

c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c3)=N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GP6 Q9HCN6 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ P2RX7 Q99572 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 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
SCHEMBL20083143 1.00 GP6 (0.35) GP6NISCHNOS2P2RX7L3MBTL1
SCHEMBL20083135 0.99 GP6 (0.35) GP6NISCHNOS2P2RX7L3MBTL1
SCHEMBL25811828 0.99 NOS2 (0.35) GP6NISCHNOS2P2RX7L3MBTL1
SCHEMBL19791270 0.96 GP6 (0.35) GP6NISCHNOS2L3MBTL1MEN1
SCHEMBL21698961 0.96 GP6 (0.35) GP6NISCHNOS2L3MBTL1MEN1
SCHEMBL24312403 0.95 GP6 (0.34) GP6NISCHNOS2P2RX7L3MBTL1
SCHEMBL20083029 0.95 GP6 (0.34) GP6NISCHNOS2P2RX7L3MBTL1
SCHEMBL21699066 0.95 GP6 (0.34) GP6NISCHNOS2P2RX7L3MBTL1
SCHEMBL25742925 0.94 GP6 (0.35) GP6NISCHNOS2L3MBTL1MEN1
SCHEMBL22664907 0.93 P2RX7 (0.34) GP6NISCHNOS2P2RX7L3MBTL1

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-3312255-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2018-04-25 — — EP disclosed
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