SCHEMBL18935395

SCHEMBL18935395

c1ccc(C2=NC(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)c3)NC(c3ccccc3)N2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL18934732 0.92 TNF (0.38) —
SCHEMBL18935386 0.92 P2RX7 (0.32) —
SCHEMBL18934716 0.91 TNF (0.36) —
SCHEMBL18935396 0.90 CYP11B1 (0.31) —
SCHEMBL18935294 0.89 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL18935392 0.88 — —
SCHEMBL18935387 0.87 — —
SCHEMBL18934734 0.86 CSNK2A2 (0.37) —
SCHEMBL18934933 0.85 TNF (0.34) —
SCHEMBL18934908 0.84 — —

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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