SCHEMBL15906335

SCHEMBL15906335

N#Cc1cc(I)c(NC(=O)c2cc(Cl)nn2-c2ncccc2Cl)c(C(=O)NC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
PDE4B Q07343 5/20 0.37
PDE4D Q08499 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MALT1 Q9UDY8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CNR1 P21554 1/20 0.35
AR P10275 1/20 0.34
CHRM4 P08173 1/20 0.34
CRHR1 P34998 1/20 0.34
P2RX7 Q99572 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
SCHEMBL5620587 0.90 RORC (0.40) NTRK1PDE4BPDE4DMEN1KMT2A
SCHEMBL15906347 0.88 KMT2A (0.36) KMT2AMALT1
SCHEMBL15906349 0.87 KMT2A (0.35) NTRK1KMT2AMALT1
SCHEMBL13318551 0.84 RORC (0.39) NTRK1PDE4BPDE4DMEN1KMT2A
SCHEMBL11893160 0.82 DHODH (0.40) NTRK1PDE4BPDE4DMALT1
SCHEMBL15906336 0.81 PKM (0.35) NTRK1KMT2AMALT1
SCHEMBL959805 0.80 KMT2A (0.36) NTRK1PDE4BPDE4DKMT2AMALT1
SCHEMBL30845280 0.79 KMT2A (0.36) PDE4BPDE4DKMT2AMALT1
SCHEMBL563502 0.79 KMT2A (0.36) PDE4BPDE4DKMT2AMALT1
SCHEMBL15906348 0.78 KLKB1 (0.37) PDE4BMEN1KMT2A

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
EP-2759200-A1 Active agent combinations with insecticide properties Bayer CropScience AG (DE) 2014-07-30 EP disclosed