SCHEMBL23868902

SCHEMBL23868902

O=Cc1ccc(Nc2nc(Nc3cc(O)cc(O)c3)nc(Nc3cc(O)cc(O)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH5A1 P51649 1/20 0.44
▸ ABAT P80404 1/20 0.44
▸ DDX3X O00571 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ RHOA P61586 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CACNA1B Q00975 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
SCHEMBL23868900 0.88 ALDH5A1 (0.59) ALDH5A1ABATDDX3XPOLBPTGS2
SCHEMBL2087642 0.80 BACE1 (0.42) DDX3XRHOAKDM4EAURKAMEN1
SCHEMBL24390655 0.77 CA1 (0.38) ALDH5A1ABATDDX3XPOLBSMN1; SMN2
SCHEMBL24390656 0.77 ALDH1A1 (0.63) RAB9ANPC1RHOASMN1; SMN2AURKA
SCHEMBL23868903 0.76 TYR (0.46) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL23868787 0.75 ALB (0.41) RAB9ANPC1POLBSMN1; SMN2KDM4E
SCHEMBL4572353 0.74 NFKB1 (0.58) RAB9ANPC1POLBSMN1; SMN2KDM4E
SCHEMBL13401823 0.73 NFKB1 (0.56) RAB9ANPC1POLBRHOASMN1; SMN2
SCHEMBL23868901 0.73 CDC25B (0.43) DDX3X
SCHEMBL24390652 0.72 CYP3A4 (0.42) DDX3XPOLBSMN1; SMN2MEN1KMT2A

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-20210301180-A1 COMPOSITION, THERMALLY CONDUCTIVE SHEET, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORPORATION (JP) 2021-09-30 — — US disclosed
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