SCHEMBL18934993

SCHEMBL18934993

c1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4nc5ccccc5c5ccccc45)c3)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
SCHEMBL18935386 0.89 P2RX7 (0.32) P2RX7
SCHEMBL19637888 0.85 P2RX7 (0.38) P2RX7
SCHEMBL18935396 0.82 CYP11B1 (0.31) —
SCHEMBL18935392 0.82 — —
SCHEMBL18253718 0.82 P2RX7 (0.38) P2RX7
SCHEMBL18436036 0.82 P2RX7 (0.35) P2RX7
SCHEMBL18934108 0.82 P2RX7 (0.35) P2RX7
SCHEMBL18935395 0.82 CA12 (0.32) —
SCHEMBL24747170 0.81 P2RX7 (0.35) P2RX7
SCHEMBL18935128 0.81 — —

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-2017095100-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2017-06-08 — — WO disclosed
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