SCHEMBL25459335

SCHEMBL25459335

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6cc(-c7cccc(-c8cccc9sc%10ccccc%10c89)c7)ccc6c45)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.36
HCRTR1 O43613 2/20 0.34
BRDT Q58F21 1/20 0.34
LIMK1 P53667 1/20 0.33
ALOX5 P09917 2/20 0.33
F9 P00740 1/20 0.33
SLC9A1 P19634 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL26196569 0.99 PRKDC (0.36) PRKDCHCRTR1BRDTLIMK1ALOX5
SCHEMBL25459240 0.97 PRKDC (0.34) PRKDCHCRTR1BRDTLIMK1ALOX5
SCHEMBL25645666 0.96 HCRTR1 (0.37) PRKDCHCRTR1BRDTLIMK1ALOX5
SCHEMBL23820918 0.96 PRKDC (0.36) PRKDCHCRTR1BRDTLIMK1ALOX5
SCHEMBL24217002 0.96 PRKDC (0.36) PRKDCHCRTR1BRDTLIMK1ALOX5
SCHEMBL22760329 0.95 PRKDC (0.37) PRKDCHCRTR1BRDTLIMK1ALOX5
SCHEMBL25459283 0.94 LIMK1 (0.33) PRKDCHCRTR1LIMK1F9PLA2G2A
SCHEMBL25459265 0.94 LIMK1 (0.35) PRKDCHCRTR1LIMK1F9SLC9A1
SCHEMBL23913828 0.94 PRKDC (0.35) PRKDCHCRTR1BRDTLIMK1ALOX5
SCHEMBL25645671 0.94 HCRTR1 (0.36) PRKDCHCRTR1BRDTLIMK1ALOX5

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