SCHEMBL6587237

SCHEMBL6587237

Cc1nonc1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.50
CATSPER1 Q8NEC5 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
BRD4 O60885 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
PTGS2 P35354 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL15891186 0.86 ALDH1A1 (0.56) PKMCATSPER1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1457808 0.78 ALDH1A1 (0.56) PKMCATSPER1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6587272 0.76 PKM (0.46) PKMALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL15891230 0.75 ALDH1A1 (0.60) PKMALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL261709 0.73
SCHEMBL28349946 0.73 ALDH1A1 (0.50) CATSPER1ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL11527366 0.73 PTGS2 (0.49) PKMCATSPER1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11177962 0.70 HTT (0.58) ALDH1A1MAPTSMN1; SMN2NPSR1HTT
SCHEMBL2484545 0.70 ALDH1A1 (0.46) CATSPER1ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL1323891 0.70 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2POLBALOX15

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
EP-1038874-B1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK & CHEMICALS (JP) 2004-03-03 EP disclosed
US-6340697-B1 PESTICIDES, PLANT DISEASE CONTROL AGENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-01-22 US disclosed
EP-1038874-A1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-27 EP disclosed