SCHEMBL25458042

SCHEMBL25458042

c1ccc(-c2ccc3sc4c(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c6c5oc5ccccc56)cccc4c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.36
PIM3 Q86V86 3/20 0.35
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
LIMK1 P53667 1/20 0.34
PRKDC P78527 3/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
BRD4 O60885 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRDT Q58F21 1/20 0.33
PLA2G2A P14555 3/20 0.33
PLA2G4A P47712 3/20 0.33
PLA2G10 O15496 1/20 0.33
MAPT P10636 3/20 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
SCHEMBL26223052 0.94 ALOX5 (0.35) ALOX5PIM3PIM1PIM2CSNK2A2
SCHEMBL26223048 0.94 ALOX5 (0.35) ALOX5PIM3PIM1PIM2CSNK2A2
SCHEMBL26763621 0.94 ALOX5 (0.36) ALOX5PIM3PIM1PIM2CSNK2A2
SCHEMBL22376262 0.93 ALOX5 (0.39) ALOX5PIM3PIM1PIM2CSNK2A2
SCHEMBL25458064 0.93 ALOX5 (0.39) ALOX5PIM3PIM1PIM2CSNK2A2
SCHEMBL25459059 0.93 ALOX5 (0.37) ALOX5PIM3PIM1PIM2CSNK2A2
SCHEMBL22376865 0.93 ALOX5 (0.39) ALOX5PIM3PIM1PIM2CSNK2A2
SCHEMBL24929659 0.92 ALOX5 (0.41) ALOX5PIM3PIM1PIM2CSNK2A2
SCHEMBL25458040 0.92 ALOX5 (0.36) ALOX5PIM3PIM1PIM2CSNK2A2
SCHEMBL26227225 0.92 ALOX5 (0.36) ALOX5PIM3PIM1PIM2CSNK2A2

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