SCHEMBL25459077

SCHEMBL25459077

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6c(-c7cccc8sc9cccc(-c%10ccccc%10)c9c78)cccc6c45)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
BRDT Q58F21 1/20 0.36
LIMK1 P53667 1/20 0.36
MAPT P10636 7/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 4/20 0.33
HSD17B10 Q99714 3/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL25459072 0.92 LIMK1 (0.39) ALOX5BRDTLIMK1MAPTALDH1A1
SCHEMBL25458076 0.92 ALOX5 (0.38) ALOX5BRDTLIMK1MAPTALDH1A1
SCHEMBL25458993 0.92 MAPT (0.36) ALOX5BRDTLIMK1MAPTALDH1A1
SCHEMBL25459074 0.92 BRDT (0.37) ALOX5BRDTLIMK1MAPTALDH1A1
SCHEMBL25459075 0.92 BRDT (0.37) ALOX5BRDTLIMK1MAPTALDH1A1
SCHEMBL23823889 0.91 ALOX5 (0.38) ALOX5BRDTLIMK1MAPTALDH1A1
SCHEMBL23824008 0.91 ALOX5 (0.38) ALOX5BRDTLIMK1MAPTALDH1A1
SCHEMBL23823885 0.91 LIMK1 (0.40) ALOX5BRDTLIMK1MAPTALDH1A1
SCHEMBL25458526 0.91 BRDT (0.37) ALOX5BRDTLIMK1MAPTALDH1A1
SCHEMBL25459127 0.91 BRDT (0.39) ALOX5BRDTLIMK1MAPTALDH1A1

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