SCHEMBL905702

SCHEMBL905702

O=C(Cl)c1cccc2ncoc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
ELANE P08246 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 1/20 0.37
CTNNB1 P35222 4/20 0.33
WNT3A P56704 4/20 0.33
DHODH Q02127 1/20 0.33
BTK Q06187 1/20 0.33
ACLY P53396 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 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
SCHEMBL905742 0.84 ALDH1A1 (0.49) MTNR1AMTNR1BELANEALDH1A1ALOX15
SCHEMBL31596506 0.82 MTNR1A (0.50) MTNR1AMTNR1BELANEALDH1A1CTNNB1
SCHEMBL17846702 0.82 MTNR1A (0.43) MTNR1AMTNR1BELANEALDH1A1
SCHEMBL27595069 0.79 MTNR1A (0.42) MTNR1AMTNR1BELANEALDH1A1CTNNB1
SCHEMBL3573582 0.78 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1MEN1GAA
SCHEMBL29685513 0.78 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1MEN1GAA
SCHEMBL28853339 0.76 MTNR1A (0.40) MTNR1AMTNR1BELANEALDH1A1CTNNB1
SCHEMBL905831 0.75 MTNR1A (0.41) MTNR1AMTNR1BELANEALDH1A1CTNNB1
SCHEMBL27718881 0.75 MAPT (0.43) ALDH1A1ALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL29678822 0.73 KMO (0.36) MTNR1AMTNR1BBTKLMNA

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 6 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-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
EP-2277868-A1 Phenyloxy(thio)phenylamidbenzoxa(thia)zoles Bayer CropScience AG (DE) 2011-01-26 EP disclosed
WO-2010149309-A2 CYCLOALKYLAMIDOBENZOXA(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