SCHEMBL25459059

SCHEMBL25459059

c1ccc(-c2ccc3sc4c(-c5cccc6c5oc5cccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c56)cccc4c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.37
PRKDC P78527 6/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
BRD4 O60885 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
KCNH2 Q12809 1/20 0.35
BRDT Q58F21 1/20 0.35
LIMK1 P53667 2/20 0.35
PIM3 Q86V86 3/20 0.34
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PLA2G2A P14555 2/20 0.31
PLA2G4A P47712 2/20 0.31

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
SCHEMBL25458970 0.94 PRKDC (0.38) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25458042 0.93 ALOX5 (0.36) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25459066 0.93 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25459058 0.92 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL20871997 0.92 LIMK1 (0.36) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25459068 0.92 ALOX5 (0.39) ALOX5PRKDCLIMK1PIM3PIM1
SCHEMBL20871654 0.91 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23822063 0.90 PRKDC (0.41) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25459441 0.90 ALOX5 (0.40) ALOX5PRKDCLIMK1PIM3PIM1
SCHEMBL24217208 0.90 PRKDC (0.42) ALOX5PRKDCPIK3CDPIK3CBBRD4

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