SCHEMBL13683553

SCHEMBL13683553

CC(=O)OC1=NN(C)C(=O)/C1=C/C=C1/Sc2ccccc2N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.44
▸ MEN1 O00255 9/20 0.44
▸ KMT2A Q03164 9/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPT P10636 13/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 8/20 0.42
▸ RAB9A P51151 8/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.42
▸ NFKB1 P19838 3/20 0.42
▸ NFKB2 Q00653 3/20 0.42
▸ RELA Q04206 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL13683552 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13683558 0.81 MAPT (0.44) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL14016121 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13683554 0.77 MAPT (0.41) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13805787 0.76 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13683595 0.75 MAPT (0.54) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13683560 0.75 — —
SCHEMBL13445655 0.74 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13683597 0.68 MEN1 (0.30) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL25849797 0.68 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHSD17B10MAPT

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-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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