SCHEMBL25458312

SCHEMBL25458312

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4c(-c6ccc7sc8c(-c9ccccc9)cccc8c7c6)cccc45)n3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.43
▸ PRKDC P78527 9/20 0.36
▸ LIMK1 P53667 3/20 0.36
▸ PIK3CD O00329 5/20 0.36
▸ PIK3CB P42338 5/20 0.36
▸ PIK3CA P42336 4/20 0.34
▸ PIK3CG P48736 4/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ MTOR P42345 2/20 0.34
▸ BRDT Q58F21 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PIM3 Q86V86 3/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL20871635 0.98 ALOX5 (0.41) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL22403443 0.97 ALOX5 (0.40) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL25458358 0.93 ALOX5 (0.49) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL25458299 0.93 PRKDC (0.40) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL25458313 0.92 ALOX5 (0.38) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL18216731 0.92 ALOX5 (0.38) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL25458355 0.92 ALOX5 (0.46) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL25458415 0.91 ALOX5 (0.40) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL22403652 0.91 LIMK1 (0.37) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL23823929 0.91 ALOX5 (0.43) ALOX5PRKDCLIMK1PIK3CDPIK3CB

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
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