SCHEMBL15549183

SCHEMBL15549183

O=C(NF)c1cnccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
KDM4C Q9H3R0 3/20 0.38
KDM4D Q6B0I6 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SIRT3 Q9NTG7 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HDAC1 Q13547 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
SCHEMBL4730620 0.81 NUDT1 (0.46) ROCK2ROCK1KDM4CKDM4DTDP1
SCHEMBL2261756 0.76 KDM4C (0.53) KDM4CKDM4DTDP1SIRT3L3MBTL1
SCHEMBL15550884 0.75 SIRT3 (0.60) ROCK1KDM4CKDM4DTDP1SIRT3
SCHEMBL5700319 0.75 TDP1 (0.46) ROCK2ROCK1KDM4CKDM4DTDP1
SCHEMBL5700411 0.74 KDM4E (0.59) TDP1SIRT3L3MBTL1POLBALDH1A1
SCHEMBL5700424 0.70 TDP1 (0.42) KDM4CKDM4DTDP1SIRT3L3MBTL1
SCHEMBL5700492 0.69 ALDH1A1 (0.52) TDP1POLBALDH1A1KDM4EMAPT
SCHEMBL5700454 0.69 KMT2A (0.55) KDM4CKDM4DALDH1A1MEN1MAPT
SCHEMBL6869843 0.68 KDM4C (0.49) KDM4CKDM4DTDP1SIRT3L3MBTL1
SCHEMBL5700507 0.67 TDP1 (0.37) KDM4CKDM4DTDP1SIRT3L3MBTL1

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-2854550-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer Cropscience AG (DE) 2015-04-08 EP claimed
WO-2013178656-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2013-12-05 WO claimed