SCHEMBL13683571

SCHEMBL13683571

CCN1N=C(C(C)(C)C)/C(=C\C=C2\SCCN2CC)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RUNX1 Q01196 1/20 0.35
▸ CBFB Q13951 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TNNT2 P45379 1/20 0.33

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
SCHEMBL13805810 0.88 MEN1 (0.45) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13683573 0.88 FURIN (0.36) FURINMEN1NPC1ALDH1A1MAPT
SCHEMBL13683580 0.86 FURIN (0.35) FURINMEN1NPC1ALDH1A1MAPT
SCHEMBL13683572 0.79 MEN1 (0.33) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13683574 0.79 MEN1 (0.42) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13683570 0.77 MEN1 (0.38) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13683578 0.77 MEN1 (0.48) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13683568 0.71 MEN1 (0.45) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13683581 0.69 MEN1 (0.46) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13683567 0.69 MEN1 (0.40) MEN1NPC1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 — — US disclosed
US-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 — — US disclosed
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