SCHEMBL22892970

SCHEMBL22892970

c1ccc(C2=NC(c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccccc%10)c9)n8)c7)c6)c5)c4)c3)=NC(c3cccc(-c4ccccc4)c3)N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.35
▸ GP6 Q9HCN6 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ 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 0.30
▸ LMNA P02545 1/20 0.30
▸ GLA P06280 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
SCHEMBL25740745 0.99 P2RX7 (0.34) P2RX7GP6NISCHNOS2L3MBTL1
SCHEMBL25740744 0.99 P2RX7 (0.34) P2RX7GP6NISCHNOS2L3MBTL1
SCHEMBL22664907 0.96 P2RX7 (0.34) P2RX7GP6NISCHNOS2L3MBTL1
SCHEMBL24390399 0.96 P2RX7 (0.35) P2RX7GP6NOS2L3MBTL1MEN1
SCHEMBL21699066 0.94 GP6 (0.34) P2RX7GP6NISCHNOS2L3MBTL1
SCHEMBL20083029 0.94 GP6 (0.34) P2RX7GP6NISCHNOS2L3MBTL1
SCHEMBL24312403 0.94 GP6 (0.34) P2RX7GP6NISCHNOS2L3MBTL1
SCHEMBL25740749 0.94 P2RX7 (0.34) P2RX7GP6NISCHNOS2L3MBTL1
SCHEMBL27345086 0.93 MEN1 (0.40) P2RX7MEN1ALDH1A1MAPTHPGD
SCHEMBL22664900 0.93 GP6 (0.35) P2RX7GP6NISCHNOS2L3MBTL1

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-3272833-B1 COMPOSITION FOR ORGANIC PHOTOELECTRONIC ELEMENT, ORGANIC PHOTOELECTRONIC ELEMENT, AND DISPLAY APPARATUS SAMSUNG SDI CO LTD (KR) 2021-01-13 — — EP disclosed
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