SCHEMBL25850893

SCHEMBL25850893

c1ccc(-c2ccc3c(c2)oc2cccc(-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)nc(-c5cccc6sc7ccccc7c56)n4)c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.33
▸ PRKDC P78527 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PLA2G2A P14555 3/20 0.32
▸ PLA2G4A P47712 3/20 0.32
▸ F9 P00740 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ PLA2G10 O15496 1/20 0.30
▸ TTR P02766 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
SCHEMBL23821285 0.93 BRDT (0.34) HCRTR1PRKDCBRDTMMP12MMP13
SCHEMBL25504087 0.91 HCRTR1 (0.33) HCRTR1PRKDCBRDTMMP12MMP13
SCHEMBL25502380 0.91 PLA2G2A (0.34) HCRTR1PRKDCBRDTMMP12MMP13
SCHEMBL23822335 0.91 HCRTR1 (0.34) HCRTR1PRKDCBRDTMMP12MMP13
SCHEMBL23820294 0.91 PRKDC (0.35) HCRTR1PRKDCBRDTMMP12MMP13
SCHEMBL22763860 0.91 F9 (0.34) HCRTR1PRKDCBRDTMMP12MMP13
SCHEMBL25645782 0.90 MMP12 (0.36) HCRTR1PRKDCBRDTMMP12MMP13
SCHEMBL26080459 0.90 MMP12 (0.36) HCRTR1PRKDCBRDTMMP12MMP13
SCHEMBL25945019 0.90 MMP12 (0.36) HCRTR1PRKDCBRDTMMP12MMP13
SCHEMBL25850426 0.90 BRDT (0.37) BRDT

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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