SCHEMBL22809240

SCHEMBL22809240

c1ccc(C2=NC(c3ccc(-c4c(-c5cc6ccccc6c6ccccc56)ccc5ccccc45)cc3)NC(c3ccccc3)N2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ NISCH Q9Y2I1 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
SCHEMBL27254302 0.90 P2RX7 (0.32) P2RX7
SCHEMBL27345364 0.88 P2RX7 (0.30) GPR84P2RX7
SCHEMBL22809249 0.85 — —
SCHEMBL21159732 0.84 KDM4E (0.33) KMT2AKDM4E
SCHEMBL21160263 0.83 NPC1 (0.41) P2RX7
SCHEMBL22809206 0.83 — —
SCHEMBL21160343 0.83 NPC1 (0.39) —
SCHEMBL27381205 0.83 GPR84 (0.33) GPR84MEN1KMT2ALMNAP2RX7
SCHEMBL21159670 0.82 NPC1 (0.40) —
SCHEMBL21159936 0.82 — —

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
EP-3372593-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-12-23 — — EP disclosed
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