SCHEMBL25811828

SCHEMBL25811828

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.35
▸ P2RX7 Q99572 2/20 0.33
▸ GP6 Q9HCN6 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ HPGD P15428 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL20083142 0.99 GP6 (0.35) NOS2P2RX7GP6NISCHL3MBTL1
SCHEMBL20083143 0.99 GP6 (0.35) NOS2P2RX7GP6NISCHL3MBTL1
SCHEMBL20083135 0.97 GP6 (0.35) NOS2P2RX7GP6NISCHL3MBTL1
SCHEMBL19791270 0.95 GP6 (0.35) NOS2GP6NISCHL3MBTL1ALDH1A1
SCHEMBL21698961 0.95 GP6 (0.35) NOS2GP6NISCHL3MBTL1ALDH1A1
SCHEMBL24312403 0.94 GP6 (0.34) NOS2P2RX7GP6NISCHL3MBTL1
SCHEMBL21699066 0.94 GP6 (0.34) NOS2P2RX7GP6NISCHL3MBTL1
SCHEMBL20083029 0.94 GP6 (0.34) NOS2P2RX7GP6NISCHL3MBTL1
SCHEMBL24390399 0.94 P2RX7 (0.35) NOS2P2RX7GP6L3MBTL1ALDH1A1
SCHEMBL25742925 0.92 GP6 (0.35) NOS2GP6NISCHL3MBTL1ALDH1A1

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-4212517-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2023-07-19 — — EP disclosed
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