SCHEMBL13683633

SCHEMBL13683633

CC(C)N1N=C(C#N)/C(=C\C=C2N(C)c3ccccc3N2C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL13683627 0.85 EPHX2 (0.33) EPHX2MEN1LMNAGAAMAPT
SCHEMBL13683626 0.78 SMN1; SMN2 (0.33) MEN1LMNAGAAMAPTMAPK1
SCHEMBL13683616 0.71 MEN1 (0.40) MEN1LMNAGAAMAPTKMT2A
SCHEMBL13683810 0.68 KMT2A (0.45) EPHX2MEN1LMNAGAAMAPT
SCHEMBL13683527 0.67 ALDH1A1 (0.34) MEN1GAAMAPTMAPK1HTT
SCHEMBL13683628 0.64 TRPA1 (0.35) EPHX2MEN1LMNAGAAMAPT
SCHEMBL13683624 0.64 TRPA1 (0.40) EPHX2MEN1LMNAGAAMAPT
SCHEMBL13683621 0.64 L3MBTL1 (0.50) EPHX2MEN1LMNAGAAMAPT
SCHEMBL9136909 0.64 CES1 (0.38) EPHX2MEN1LMNAMAPTMAPK1
SCHEMBL9355391 0.62 KMT2A (0.38) EPHX2MEN1LMNAMAPTMAPK1

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 5 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
US-7553797-B2 Thermal transfer recording material and thermal transfer recording method KONICA MINOLTA PHOTO IMAGING, INC. (JP) 2009-06-30 — — US disclosed
US-7553797-B2 Thermal transfer recording material and thermal transfer recording method KONICA MINOLTA PHOTO IMAGING, INC. (JP) 2009-06-30 — — US disclosed
EP-1619040-B1 Thermal transfer recording material and thermal transfer recording method DAINIPPON PRINTING CO LTD (JP) 2008-11-19 — — EP disclosed
Send feedback