SCHEMBL18935386

SCHEMBL18935386

c1ccc(C2=NC(c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)cc(-c4cccc(-c5ccccc5)c4)c3)NC(c3ccccc3)N2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.32
▸ DHODH Q02127 2/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ NUDT1 P36639 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2B P67870 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18935395 0.92 CA12 (0.32) —
SCHEMBL18935392 0.91 — —
SCHEMBL18935396 0.91 CYP11B1 (0.31) —
SCHEMBL18934993 0.89 P2RX7 (0.32) P2RX7
SCHEMBL18935387 0.88 — —
SCHEMBL18934908 0.88 — —
SCHEMBL18934734 0.85 CSNK2A2 (0.37) DHODHCSNK2A2CSNK2B
SCHEMBL18934732 0.85 TNF (0.38) DHODHCSNK2A2CSNK2B
SCHEMBL18934716 0.85 TNF (0.36) DHODHCSNK2A2CSNK2B
SCHEMBL18935290 0.83 KDM4E (0.34) ADORA2AMEN1KMT2A

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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