SCHEMBL23099293

SCHEMBL23099293

c1ccc(-c2ccc(C3N=C(c4ccc(-c5cccc6c(-c7cccc(-c8ccc(-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)cc8)c7)cccc56)cc4)N[C@@H](c4ccccc4)N3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.32
▸ NOS2 P35228 1/20 0.32

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
SCHEMBL18697604 0.99 P2RX7 (0.33) P2RX7NOS2
SCHEMBL18697621 0.93 P2RX7 (0.34) P2RX7NOS2
SCHEMBL18697853 0.90 P2RX7 (0.35) P2RX7NOS2
SCHEMBL22825260 0.88 P2RX7 (0.32) P2RX7
SCHEMBL27460043 0.84 P2RX7 (0.39) P2RX7NOS2
SCHEMBL18561038 0.84 P2RX7 (0.40) P2RX7NOS2
SCHEMBL23624424 0.84 NPC1 (0.41) P2RX7
SCHEMBL21886417 0.82 P2RX7 (0.32) P2RX7
SCHEMBL18561430 0.82 P2RX7 (0.41) P2RX7NOS2
SCHEMBL21159724 0.81 PAX8 (0.37) P2RX7

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-2021049840-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-03-18 — — WO disclosed
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