SCHEMBL21975940

SCHEMBL21975940

C=C/C(=C\C=C/C)c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ TDO2 P48775 1/20 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
SCHEMBL25145285 0.97 LIMK1 (0.34) LIMK1ALOX5
SCHEMBL25024108 0.85 LIMK1 (0.31) LIMK1ALOX5
SCHEMBL20132547 0.83 LIMK1 (0.34) LIMK1ALOX5
SCHEMBL21574705 0.82 L3MBTL1 (0.41) —
SCHEMBL22309943 0.81 MEN1 (0.34) —
SCHEMBL24115583 0.80 L3MBTL1 (0.37) —
SCHEMBL22812707 0.79 L3MBTL1 (0.33) —
SCHEMBL22308954 0.79 MEN1 (0.37) —
SCHEMBL22544856 0.79 ALOX5 (0.39) ALOX5
SCHEMBL21285774 0.79 ALOX5 (0.34) LIMK1ALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647393-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-05-06 — — EP disclosed
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