SCHEMBL905811

SCHEMBL905811

O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc2ncoc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 1/20 0.52
MYOC Q99972 1/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
FFAR1 O14842 1/20 0.50
HTT P42858 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 1/20 0.45
F13A1 P00488 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MITF O75030 1/20 0.43

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
SCHEMBL905961 0.82 ABL1 (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL12189436 0.76 MEN1 (0.64) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL11004478 0.70 MEN1 (1.00) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13265963 0.70 MEN1 (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13265962 0.70 MEN1 (0.75) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13265859 0.70 KMT2A (0.63) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13265796 0.70 MAPT (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4690573 0.69 MEN1 (0.79) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4365186 0.69 FFAR1 (0.66) MAPTRAB9AMEN1KMT2ACRHBP
Hydrochloric Acid SCHEMBL7688451 0.69 EGLN1 (0.61) MAPTNPC1RAB9AMEN1KMT2A

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-2277868-A1 Phenyloxy(thio)phenylamidbenzoxa(thia)zoles Bayer CropScience AG (DE) 2011-01-26 EP disclosed
EP-2277868-A1 Phenyloxy(thio)phenylamidbenzoxa(thia)zoles Bayer CropScience AG (DE) 2011-01-26 EP disclosed
WO-2010149283-A2 PHENYLOXY(THIO)PHENYLAMIDOBENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO disclosed
WO-2010149283-A2 PHENYLOXY(THIO)PHENYLAMIDOBENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO disclosed