SCHEMBL21886417

SCHEMBL21886417

c1ccc(C2=NC(c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4Sc4ccccc4-5)c3)NC(c3ccccc3)N2)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 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
SCHEMBL18697621 0.89 P2RX7 (0.34) P2RX7
SCHEMBL18697853 0.87 P2RX7 (0.35) P2RX7
SCHEMBL18697604 0.83 P2RX7 (0.33) P2RX7
SCHEMBL23099293 0.82 P2RX7 (0.32) P2RX7
SCHEMBL22825260 0.80 P2RX7 (0.32) P2RX7
SCHEMBL22901084 0.77 F9 (0.31) P2RX7
SCHEMBL19055067 0.76 P2RX7 (0.41) P2RX7
SCHEMBL19007621 0.76 P2RX7 (0.43) P2RX7
SCHEMBL18253718 0.76 P2RX7 (0.38) P2RX7
SCHEMBL27275115 0.75 ALOX5 (0.34) —

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-2020055113-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-03-19 — — WO disclosed
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