SCHEMBL905831

SCHEMBL905831

O=C(Cl)Oc1cccc2ncoc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
ELANE P08246 1/20 0.35
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CTNNB1 P35222 3/20 0.32
WNT3A P56704 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
PIN1 Q13526 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL905744 0.85 MTNR1A (0.42) MTNR1AMTNR1BELANEKDM4EPOLB
SCHEMBL905702 0.75 MTNR1A (0.43) MTNR1AMTNR1BELANECTNNB1WNT3A
SCHEMBL645949 0.74 NQO2 (0.47) MTNR1AMTNR1BELANEKDM4EPOLB
SCHEMBL10832721 0.74 ALDH1A1 (0.50) RAB9AALDH1A1
SCHEMBL30506059 0.73 ELANE (0.40) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL29678822 0.72 KMO (0.36) MTNR1AMTNR1BKDM4EPOLBPIN1
SCHEMBL10831676 0.72 SMN1; SMN2 (0.49) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28792220 0.72 KMO (0.36) MTNR1AMTNR1BKDM4EPOLBPIN1
SCHEMBL28187711 0.70 SCN9A (0.40) MTNR1AMTNR1BELANEKDM4EHTR2A
SCHEMBL29678807 0.69 KMO (0.41) KDM4EPOLBSMN1; SMN2PIN1CASP1

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-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