SCHEMBL905744

SCHEMBL905744

O=C(O)Oc1cccc2ncoc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
ELANE P08246 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACLY P53396 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL905831 0.85 MTNR1A (0.41) MTNR1AMTNR1BELANEALDH1A1KDM4E
SCHEMBL645949 0.75 NQO2 (0.47) MTNR1AMTNR1BELANEALDH1A1KDM4E
SCHEMBL10832721 0.75 ALDH1A1 (0.50) ALDH1A1RAB9A
SCHEMBL30506059 0.75 ELANE (0.40) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL905742 0.74 ALDH1A1 (0.49) MTNR1AMTNR1BELANEALDH1A1KDM4E
SCHEMBL10831676 0.73 SMN1; SMN2 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL28187711 0.71 SCN9A (0.40) MTNR1AMTNR1BELANEKDM4EACLY
SCHEMBL28792284 0.70 KMO (0.41) KDM4ECASP1SMN1; SMN2POLBPIN1
SCHEMBL29678807 0.70 KMO (0.41) KDM4ECASP1SMN1; SMN2POLBPIN1
SCHEMBL27698463 0.69 ALDH1A1 (0.43) MTNR1AMTNR1BALDH1A1KDM4EHPGD

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-2277869-A1 Cycloalkylamidbenzoxa(thia)zoles as fungicides 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-2010149309-A2 CYCLOALKYLAMIDOBENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO disclosed