SCHEMBL28803285

SCHEMBL28803285

CC(=O)N/C(C)=C/c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
KDM4E B2RXH2 3/20 0.52
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 4/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
CHAT P28329 1/20 0.43
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL29138776 0.80 MTNR1A (0.51) MTNR1AMTNR1BKDM4EHDAC8HDAC6
SCHEMBL819646 0.79 KDM4E (0.68) MTNR1AMTNR1BKDM4EHDAC8HDAC6
SCHEMBL36974 0.79 KDM4E (0.68) MTNR1AMTNR1BKDM4EHDAC8HDAC6
SCHEMBL6027912 0.76 KDM4E (0.54) MTNR1AMTNR1BKDM4EHDAC8HDAC6
SCHEMBL27922293 0.76 HDAC1 (0.45) HDAC8HDAC6ALDH1A1LMNACA4
SCHEMBL3826539 0.75 KDM4E (0.55) MTNR1AMTNR1BKDM4EHDAC8HDAC6
SCHEMBL31602276 0.75 KDM4E (0.57) MTNR1AMTNR1BKDM4EHDAC8HDAC6
SCHEMBL553714 0.75 KDM4E (0.57) MTNR1AMTNR1BKDM4EHDAC8HDAC6
SCHEMBL553715 0.75 KDM4E (0.57) MTNR1AMTNR1BKDM4EHDAC8HDAC6
SCHEMBL563352 0.75 KDM4E (0.57) MTNR1AMTNR1BKDM4EHDAC8HDAC6

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
CN-103087105-B Chiral phosphine ligand and comprise the metal catalyst of this part and their application SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-05 CN disclosed
CN-103087105-A Chiral phosphine ligand and metal catalyst comprising same and application of chiral phosphine ligand and metal catalyst SHANGHAI INST ORGANIC CHEM 2013-05-08 CN disclosed