SCHEMBL19637888

SCHEMBL19637888

c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.38
▸ 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
SCHEMBL18253718 0.95 P2RX7 (0.38) P2RX7
SCHEMBL24747180 0.94 P2RX7 (0.35) P2RX7
SCHEMBL18436036 0.92 P2RX7 (0.35) P2RX7NOS2
SCHEMBL18934108 0.92 P2RX7 (0.35) P2RX7NOS2
SCHEMBL18561430 0.88 P2RX7 (0.41) P2RX7NOS2
SCHEMBL24390311 0.86 P2RX7 (0.33) P2RX7
SCHEMBL24747170 0.86 P2RX7 (0.35) P2RX7
SCHEMBL23511705 0.86 — —
SCHEMBL19055067 0.85 P2RX7 (0.41) P2RX7NOS2
SCHEMBL18561432 0.85 P2RX7 (0.38) P2RX7NOS2

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-2017200210-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-11-23 — — WO disclosed
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