SCHEMBL9063124

SCHEMBL9063124

Nc1c(OC[C@@H](O)CNCc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
KCNH2 Q12809 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
ABCB1 P08183 4/20 0.43
MEN1 O00255 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL9063132 1.00 KMT2A (0.52) KMT2AKDM4EPOLBKCNH2L3MBTL1
SCHEMBL9062877 0.82 MEN1 (0.46) KMT2AKDM4EKCNH2ABCB1MEN1
SCHEMBL9062878 0.82 MEN1 (0.46) KMT2AKDM4EKCNH2ABCB1MEN1
SCHEMBL7114181 0.82 ADRB3 (0.54) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL11357639 0.81 ADRB2 (0.54) KDM4EKCNH2ABCB1ADRB2ADRB1
SCHEMBL7332908 0.80 KDM4E (0.73) KMT2AKDM4EPOLBKCNH2MEN1
SCHEMBL7952028 0.80 L3MBTL1 (0.46) KMT2AKDM4EPOLBL3MBTL1ABCB1
SCHEMBL7952030 0.80 L3MBTL1 (0.46) KMT2AKDM4EPOLBL3MBTL1ABCB1
SCHEMBL11824244 0.80 L3MBTL1 (0.62) KMT2AL3MBTL1MEN1ADRB2ADRB1
SCHEMBL7336472 0.79 KDM4E (0.79) KMT2AKDM4EPOLBKCNH2MEN1

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-0711284-A1 2-BENZOHETEROCYCLYLOXY OR THIOPROPANOLAMINE DERIVATIVES WITH ADRENO RECEPTOR AGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004047-A1 2-BENZOHETEROCYCLYLOXY OR THIOPROPANOLAMINE DERIVATIVES WITH ADRENO RECEPTOR AGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed