SCHEMBL955031

SCHEMBL955031

COC(=O)c1cc(CCl)nn1-c1ncccc1Cl.COC(=O)c1cc(CO)nn1-c1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
RBP4 P02753 1/20 0.36
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
Hydrochloric Acid SCHEMBL959170 0.96 SLC16A3 (0.36) MALT1SLC16A3SLC16A1RBP4DHODH
SCHEMBL340847 0.96 MALT1 (0.38) MALT1SLC16A3SLC16A1RBP4DHODH
SCHEMBL421559 0.96 MALT1 (0.38) MALT1SLC16A3SLC16A1RBP4DHODH
SCHEMBL30206595 0.96 MALT1 (0.38) MALT1SLC16A3SLC16A1RBP4DHODH
SCHEMBL2623669 0.86 MALT1 (0.39) MALT1SLC16A3SLC16A1RBP4DHODH
SCHEMBL25008752 0.85 SLC16A3 (0.41) MALT1SLC16A3SLC16A1RBP4DHODH
SCHEMBL16014672 0.85 MALT1 (0.37) MALT1SLC16A3SLC16A1RBP4DHODH
SCHEMBL341689 0.85 DHODH (0.38) MALT1SLC16A3SLC16A1RBP4DHODH
SCHEMBL11928300 0.85 SLC16A3 (0.38) MALT1SLC16A3SLC16A1POLBMAPT
SCHEMBL1980280 0.84 ALDH1A1 (0.46) SLC16A3SLC16A1ALDH1A1POLBTDP1

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-2456747-A1 NOVEL ALKOXYENONES AND ENAMINOKETONES AND A METHOD FOR THE PRODUCTION THEREOF Bayer CropScience AG (DE) 2012-05-30 EP disclosed
WO-2011009552-A1 NOVEL ALKOXYENONES AND ENAMINOKETONES AND A METHOD FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2011-01-27 WO disclosed