SCHEMBL13683539

SCHEMBL13683539

CC(=O)NC1=NN(C)C(=O)/C1=C/C=C1/Oc2ccccc2N1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TNNI3 P19429 1/20 0.34
▸ TNNT2 P45379 1/20 0.34
▸ TNNC1 P63316 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ABL1 P00519 3/20 0.33
▸ MAPT P10636 3/20 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
SCHEMBL13683528 0.88 MEN1 (0.36) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13683533 0.83 ALDH1A1 (0.36) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13805787 0.80 ALDH1A1 (0.34) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL14016488 0.79 MEN1 (0.36) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13683534 0.78 P2RX4 (0.38) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13683511 0.77 ALDH1A1 (0.39) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13805791 0.77 MAPT (0.37) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13683513 0.77 MEN1 (0.36) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13683512 0.77 MEN1 (0.35) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13683529 0.77 MEN1 (0.36) KDM4EALDH1A1GAASMN1; SMN2MEN1

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 3 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
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