SCHEMBL13076207

SCHEMBL13076207

C=Cc1c(NCc2ccco2)nc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 9/20 0.40
MAPT P10636 9/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
TSHR P16473 4/20 0.40
HSD17B10 Q99714 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
EED O75530 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL118741 0.94 MAPT (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2682660 0.93 MAPT (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10087236 0.93 MAPT (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2683873 0.92 ALDH1A1 (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2683142 0.91 KMT2A (0.41) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10087223 0.84 ALDH1A1 (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1610274 0.83 ALDH1A1 (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL21584337 0.82 LMNA (0.41) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1609507 0.81 MAPT (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL21584477 0.81 ALDH1A1 (0.41) KDM4EALDH1A1MAPTMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO disclosed