SCHEMBL22875684

SCHEMBL22875684

c1ccc(C2=NC(c3ccc(-c4cccc(C5=NC(c6ccccc6)=NC(c6ccccc6)N5)c4)cc3)NC(c3ccccc3)=N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.38
▸ NISCH Q9Y2I1 2/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ KMT2A Q03164 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ GAA P10253 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ GP6 Q9HCN6 1/20 0.32
▸ MAPT P10636 5/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL18561340 0.97 NISCH (0.39) P2RX7NISCHNOS2KMT2AMEN1
SCHEMBL20038955 0.96 NISCH (0.40) P2RX7NISCHNOS2KMT2AMEN1
SCHEMBL15468622 0.94 P2RX7 (0.36) P2RX7NISCHNOS2KMT2AMEN1
SCHEMBL26690553 0.94 P2RX7 (0.40) P2RX7NISCHNOS2KMT2AMEN1
SCHEMBL15468588 0.94 NISCH (0.39) P2RX7NISCHNOS2KMT2AMEN1
SCHEMBL20038798 0.94 NISCH (0.39) P2RX7NISCHNOS2KMT2AMEN1
SCHEMBL26692439 0.93 P2RX7 (0.39) P2RX7NISCHNOS2KMT2AMEN1
SCHEMBL18560838 0.93 NISCH (0.38) P2RX7NISCHNOS2KMT2AMEN1
SCHEMBL19012825 0.91 P2RX7 (0.40) P2RX7NISCHNOS2KMT2AMEN1
SCHEMBL18562519 0.90 NISCH (0.38) P2RX7NISCHNOS2KMT2AMEN1

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
WO-2021006532-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 엘지화학 2021-01-14 — — WO disclosed
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