SCHEMBL6570519

SCHEMBL6570519

CC(C)C(=O)NNc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 1.00
SMN1; SMN2 Q16637 6/20 0.64
LMNA P02545 2/20 0.64
ALOX5 P09917 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
ALDH1A1 P00352 6/20 0.58
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PKM P14618 1/20 0.56
PTGS2 P35354 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CRHR1 P34998 1/20 0.47

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
SCHEMBL27822637 0.84 GAA (0.72) GAASMN1; SMN2LMNAALOX5CYP3A4
SCHEMBL8622747 0.84 GAA (0.72) GAASMN1; SMN2LMNAALOX5CYP3A4
SCHEMBL10135121 0.81 GAA (0.68) GAASMN1; SMN2LMNAALOX5CYP3A4
SCHEMBL10434862 0.81 GAA (0.68) GAASMN1; SMN2LMNAALOX5CYP3A4
SCHEMBL10117735 0.81 GAA (0.68) GAASMN1; SMN2LMNAALOX5CYP3A4
SCHEMBL8113450 0.80 GAA (0.66) GAASMN1; SMN2LMNAALOX5CYP3A4
SCHEMBL9188482 0.79 GAA (0.66) GAASMN1; SMN2LMNAALOX5CYP3A4
SCHEMBL9886 0.78 ALDH1A1 (0.85) GAASMN1; SMN2LMNACYP3A4TSHR
SCHEMBL19425986 0.78 ALDH1A1 (0.85) GAASMN1; SMN2LMNACYP3A4TSHR
SCHEMBL1222932 0.78 GAA (0.64) GAASMN1; SMN2LMNAALDH1A1MEN1

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
EP-1477484-A1 Oxonol dye compound, optical information recording medium using the same, and optical information FUJI PHOTO FILM CO., LTD. (JP) 2004-11-17 EP disclosed
EP-1253148-A2 Oxonol dye compound, optical information recording medium using the same, and optical information FUJI PHOTO FILM CO., LTD. (JP) 2002-10-30 EP disclosed