SCHEMBL13159983

SCHEMBL13159983

COC(=O)c1cnn(C)c1/N=N/c1cn(-c2nnc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)s2)nc1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL10452777 0.91 NPC1 (0.35) MAPTPPARGNCOA2NCOA1NCOA3
SCHEMBL13161110 0.85 NPC1 (0.32) MAPTPPARGNCOA2NCOA1NCOA3
SCHEMBL9972795 0.85 NPC1 (0.32) MAPTPPARGNCOA2NCOA1NCOA3
SCHEMBL10452732 0.79 KMT2A (0.39) MAPTNPC1RAB9A
SCHEMBL12766468 0.78 KMT2A (0.31) —
SCHEMBL13131240 0.78 NPC1 (0.37) MAPTNPC1RAB9A
SCHEMBL10135950 0.77 KMT2A (0.36) MAPTNPC1RAB9A
SCHEMBL14765489 0.77 NPC1 (0.32) MAPTNPC1RAB9A
SCHEMBL10452774 0.76 KMT2A (0.40) MAPTNPC1RAB9A
SCHEMBL10453828 0.76 NPC1 (0.46) MAPTNPC1RAB9A

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-20100221507-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING, INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
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