SCHEMBL24390655

SCHEMBL24390655

O=Cc1ccc(Nc2nc(Nc3ccc(S)cc3)nc(Nc3ccc(S)cc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ DDX3X O00571 2/20 0.37
▸ CA12 O43570 3/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13759853 0.84 MEN1 (0.46) CA1CA2CA9CA12CA4
SCHEMBL23868900 0.81 ALDH5A1 (0.59) CA9DDX3XPOLBMEN1MAPT
SCHEMBL4572353 0.78 NFKB1 (0.58) CA1CA2CA9CA12CA14
SCHEMBL24390656 0.77 ALDH1A1 (0.63) MEN1MAPTKMT2AGAASMN1; SMN2
SCHEMBL23868902 0.77 ALDH5A1 (0.44) CA1CA2CA9DDX3XCA12
SCHEMBL498872 0.77 — —
SCHEMBL24390652 0.76 CYP3A4 (0.42) CA1CA2CA9DDX3XCA12
SCHEMBL6516687 0.75 CYP2A6 (0.50) KDM4ESMN1; SMN2CYP2A6HSD17B10ALDH5A1
SCHEMBL6515352 0.75 CYP2A6 (0.50) KDM4ESMN1; SMN2CYP2A6HSD17B10ALDH5A1
Methane SCHEMBL1971238 0.75 CYP2A6 (0.50) KDM4ESMN1; SMN2CYP2A6HSD17B10ALDH5A1

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
US-20220135861-A1 COMPOSITION FOR FORMING THERMALLY CONDUCTIVE MATERIAL, THERMALLY CONDUCTIVE MATERIAL, AND SURFACE-MODIFIED INORGANIC SUBSTANCE FUJIFILM CORPORATION (JP) 2022-05-05 — — US disclosed
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