SCHEMBL25459332

SCHEMBL25459332

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6cc(-c7cccc(-c8ccc9c(c8)sc8ccccc89)c7)ccc6c45)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.38
ALOX5 P09917 1/20 0.35
HCRTR1 O43613 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
F9 P00740 1/20 0.33
SLC9A1 P19634 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL25459329 0.99 PRKDC (0.37) PRKDCALOX5HCRTR1ALDH1A1MAPT
SCHEMBL23228194 0.98 PRKDC (0.39) PRKDCALOX5HCRTR1ALDH1A1MAPT
SCHEMBL25851901 0.97 PRKDC (0.35) PRKDCALOX5HCRTR1ALDH1A1MAPT
SCHEMBL25557573 0.97 ALOX5 (0.36) PRKDCALOX5HCRTR1ALDH1A1MAPT
SCHEMBL23228200 0.97 PRKDC (0.38) PRKDCALOX5HCRTR1ALDH1A1MAPT
SCHEMBL22763946 0.96 PRKDC (0.36) PRKDCALOX5HCRTR1ALDH1A1MAPT
SCHEMBL25459654 0.96 PRKDC (0.36) PRKDCALOX5HCRTR1ALDH1A1MAPT
SCHEMBL25459263 0.95 LIMK1 (0.34) PRKDCHCRTR1ALDH1A1MAPTHPGD
SCHEMBL23822133 0.95 ALOX5 (0.36) PRKDCALOX5ALDH1A1MAPTHPGD
SCHEMBL26193607 0.95 PRKDC (0.36) PRKDCALOX5HCRTR1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed