SCHEMBL13683627

SCHEMBL13683627

CN1N=C(C#N)/C(=C\C=C2N(C)c3ccccc3N2C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TRPA1 O75762 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL13683626 0.85 SMN1; SMN2 (0.33) MEN1MAPTKMT2ALMNAGAA
SCHEMBL13683633 0.85 EPHX2 (0.31) EPHX2MEN1MAPTKMT2ALMNA
SCHEMBL13683527 0.80 ALDH1A1 (0.34) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL13683810 0.80 KMT2A (0.45) EPHX2MEN1MAPTKMT2ALMNA
SCHEMBL13683621 0.76 L3MBTL1 (0.50) EPHX2MEN1MAPTKMT2ALMNA
SCHEMBL13683624 0.76 TRPA1 (0.40) EPHX2MEN1MAPTKMT2ALMNA
SCHEMBL13683628 0.75 TRPA1 (0.35) EPHX2MEN1MAPTKMT2ALMNA
SCHEMBL13683629 0.70 MAPT (0.42) MEN1MAPTKMT2ALMNAGAA
SCHEMBL13683607 0.68 MEN1 (0.44) MEN1MAPTKMT2ALMNAGAA
SCHEMBL9136909 0.67 CES1 (0.38) EPHX2MEN1MAPTKMT2ALMNA

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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