SCHEMBL4553452

SCHEMBL4553452

CC(NC(=O)c1cc(F)cc(Br)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 3/20 0.37
NAMPT P43490 2/20 0.36
MALT1 Q9UDY8 5/20 0.34
CHRNA1 P02708 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL230723 0.92 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL29355401 0.92 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL27174182 0.92 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL29416636 0.92 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL29416585 0.89 IDO1 (0.36) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL516589 0.89 IDO1 (0.36) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL29416624 0.88 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL196132 0.88 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL29416550 0.87 DHODH (0.40) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL195314 0.87 DHODH (0.40) IDO1DHODHNAMPTMALT1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094087-A1 PESTICIDAL COMPOSITIONS ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-09-02 EP claimed
WO-2008072783-A1 PESTICIDAL COMPOSITIONS ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-06-19 WO claimed
EP-2094087-A1 PESTICIDAL COMPOSITIONS ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-09-02 EP disclosed
WO-2008072783-A1 PESTICIDAL COMPOSITIONS ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-06-19 WO disclosed