SCHEMBL2469291

SCHEMBL2469291

Nc1c(F)c(-c2ccc(Cl)nc2)nc(OC(=O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
NAPRT Q6XQN6 1/20 0.35
SCN9A Q15858 2/20 0.32
KCNQ3 O43525 3/20 0.32
KCNQ2 O43526 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KCNE1 P15382 2/20 0.32
KCNQ1 P51787 2/20 0.32
BACE1 P56817 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ROCK2 O75116 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2465873 0.84 DHODH (0.37) PTGDR2KDM4EALDH1A1GAANPC1
SCHEMBL2469147 0.84 DHODH (0.38) SCN9APTGDR2KDM4EALDH1A1NPC1
SCHEMBL2469287 0.82 TDP1 (0.42) PIK3CDNAPRTKCNQ3KCNQ2PTGDR2
SCHEMBL2466429 0.82 HSP90AB1 (0.36) PTGDR2KDM4EALDH1A1GAARAB9A
SCHEMBL2465267 0.77 PIK3CD (0.43) PIK3CDNAPRTSCN9AKCNQ3KCNQ2
SCHEMBL16043685 0.77 KDM4E (0.41) PIK3CDKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2467746 0.75 CTNNB1 (0.43) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL2466316 0.74 GRM2 (0.41)
SCHEMBL2469859 0.74 CNR1 (0.43)
SCHEMBL9938760 0.74 CNR1 (0.34) ALDH1A1GAAHPGDDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed