SCHEMBL24888145

SCHEMBL24888145

c1ccc(C2=NC(c3cccc4oc5cc(-c6cccc7c6oc6ccccc67)ccc5c34)NC(c3ccc(-c4ccccc4)cc3)N2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.39
▸ PRKDC P78527 1/20 0.37
▸ GGPS1 O95749 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ MMP12 P39900 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ CDC14B O60729 1/20 0.30
▸ CDC14A Q9UNH5 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
SCHEMBL21926065 0.93 ALOX5 (0.40) ALOX5PRKDCGGPS1PTGES2
SCHEMBL24356189 0.90 ALOX5 (0.34) ALOX5PRKDCGGPS1CDC14BCDC14A
SCHEMBL22924332 0.90 ALOX5 (0.36) ALOX5PRKDC
SCHEMBL21926132 0.88 ALOX5 (0.38) ALOX5PRKDCGGPS1PTGES2
SCHEMBL21926087 0.88 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL21926886 0.88 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL24356143 0.88 EDNRB (0.32) —
SCHEMBL21926231 0.88 ALOX5 (0.40) ALOX5PRKDCGGPS1PTGES2
SCHEMBL21926950 0.88 ALOX5 (0.36) ALOX5PRKDCGGPS1
SCHEMBL24356750 0.87 P2RX7 (0.30) —

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-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 — — WO disclosed
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