SCHEMBL28028228

SCHEMBL28028228

O=CC(=O)c1c2ccccc2cn1CCn1cccn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
THRB P10828 4/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRD1 P41143 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DAO P14920 1/20 0.33
TSHR P16473 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
SCHEMBL27795769 0.84 CYP19A1 (0.36)
SCHEMBL28028223 0.82 KMT2A (0.43) LMNAKMT2AKDM4EMEN1HTT
SCHEMBL27926249 0.78 PTPN1 (0.34) MAPK1ALDH1A1TDP1
SCHEMBL27670405 0.76 CNR2 (0.34)
SCHEMBL27997552 0.76 CREBBP (0.38) LMNAKDM4ESMN1; SMN2MAPK1HPGD
SCHEMBL27951823 0.76 CNR2 (0.41)
SCHEMBL28818119 0.74 KDM4E (0.34) LMNAKMT2AKDM4EMEN1HTT
SCHEMBL28826410 0.74 CNR2 (0.43)
SCHEMBL27799440 0.74 CNR2 (0.37)
SCHEMBL28028232 0.74 CNR1 (0.46) LMNAKMT2AKDM4EMEN1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884426-A Cinnamide derivative NIPPON ZOKI PHARMACEUCTICAL CO LTD 2015-09-02 CN disclosed