SCHEMBL16329557

SCHEMBL16329557

CCCCc1nn(-c2nc(O)cc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4C)c3NC)n2)cc1/N=N/c1c(C(=O)OC)cnn1C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL16328160 0.90 TLR8 (0.30) —
SCHEMBL15160945 0.83 NPC1 (0.35) KDM4ENPC1ALDH1A1MAPTHSD17B10
SCHEMBL14765504 0.82 KMT2A (0.33) NPC1ALDH1A1MAPT
SCHEMBL12361584 0.79 NPC1 (0.33) NPC1ALDH1A1MAPT
SCHEMBL12353615 0.79 — —
SCHEMBL9974630 0.79 KMT2A (0.31) —
SCHEMBL14765505 0.77 NPC1 (0.34) NPC1ALDH1A1MAPT
SCHEMBL15160893 0.77 KDM5A (0.32) NPC1ALDH1A1MAPT
SCHEMBL10332092 0.75 GABRP (0.34) ALDH1A1MAPT
SCHEMBL14765509 0.74 KMT2A (0.32) NPC1

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-20110205289-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-08-25 — — US disclosed
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