SCHEMBL12799520

SCHEMBL12799520

CC(C)C/C=N/NC(=O)c1cccc(C(=O)N/N=C/CC(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASF1A Q9Y294 1/20 0.66
MAPT P10636 4/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
FURIN P09958 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
SCHEMBL12731305 1.00 ASF1A (0.66) ASF1AMAPTGAAALDH1A1POLB
SCHEMBL13568634 0.89 ASF1A (0.81) ASF1AMAPTGAAALDH1A1POLB
SCHEMBL13568887 0.82 ASF1A (0.68) ASF1AMAPTGAAALDH1A1POLB
SCHEMBL13568639 0.81 ASF1A (0.66) ASF1AMAPTGAAALDH1A1POLB
SCHEMBL27178310 0.81 ASF1A (0.66) ASF1AMAPTGAAALDH1A1POLB
SCHEMBL27178313 0.81 ASF1A (0.66) ASF1AMAPTGAAALDH1A1POLB
SCHEMBL2989526 0.79 ASF1A (0.60) ASF1AMAPTALDH1A1KDM4EKMT2A
SCHEMBL13568666 0.79 MAPT (0.56) ASF1AMAPTGAAALDH1A1POLB
SCHEMBL2989529 0.79 ASF1A (0.60) ASF1AMAPTALDH1A1KDM4EKMT2A
SCHEMBL13568667 0.78 MAPT (0.51) MAPTGAAALDH1A1POLBKDM4E

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
WO-2011047025-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-21 WO disclosed
WO-2009146079-A2 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-12-03 WO disclosed