SCHEMBL23511323

SCHEMBL23511323

c1ccc(-c2cc(C3=NC(c4cccc(-c5cccc(-c6c(-c7ccccc7)c(-c7ccccc7)nc(-c7ccccc7)c6-c6ccccc6)c5)c4)NC(c4ccccc4)N3)cc(-c3ccccc3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL23511327 0.94 P2RX7 (0.33) P2RX7
SCHEMBL23511324 0.94 P2RX7 (0.32) P2RX7
SCHEMBL23511644 0.92 P2RX7 (0.35) P2RX7MEN1NPC1KMT2A
SCHEMBL23511526 0.92 P2RX7 (0.32) P2RX7
SCHEMBL23511618 0.92 P2RX7 (0.32) P2RX7
SCHEMBL23511410 0.90 P2RX7 (0.32) P2RX7MEN1NPC1KMT2A
SCHEMBL23511429 0.87 P2RX7 (0.33) P2RX7
SCHEMBL23511507 0.85 P2RX7 (0.38) P2RX7MEN1NPC1KMT2A
SCHEMBL23511705 0.84 — —
SCHEMBL19007621 0.82 P2RX7 (0.43) P2RX7MEN1NPC1KMT2A

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-2021118217-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-06-17 — — WO disclosed
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